data_2jn6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jn6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 64' ' ' GLU . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CD ' ' HZ2' ' A' ' 46' ' ' LYS . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.694 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 11' ' ' LYS . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.444 ' HB3' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.411 HD22 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HA ' HD13 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 41' ' ' LYS . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.694 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.715 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.617 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.514 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.409 HG23 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' GLU . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.017 0.437 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HE2' HD13 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.637 HD13 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.643 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD21 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HD11 HD22 ' A' ' 33' ' ' LEU . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 HG21 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CG ' HD11 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG21 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' HD13 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' HA ' HG23 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 41' ' ' LYS . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.552 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.469 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HA ' HG21 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.671 0.272 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' HG21 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 25' ' ' SER . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.2 t-20 -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HZ3' HD11 ' A' ' 45' ' ' ILE . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 ' HZ3' ' A' ' 41' ' ' LYS . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.55 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 1.9 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.561 0.22 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 35' ' ' ILE . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.536 ' HA ' HG23 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 66' ' ' GLU . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.755 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.7 HD11 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.704 HD23 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.464 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG3' HD23 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' ' 45' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.543 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 11' ' ' LYS . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HE2' HD12 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.539 HD12 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.946 0.403 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 121.073 0.463 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.577 0.227 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 29' ' ' ILE . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 ' HA ' HG23 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.602 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.481 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.523 ' HB2' HG22 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.716 0.293 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.144 0.497 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' O ' HG21 ' A' ' 15' ' ' VAL . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.604 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.536 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.488 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.888 0.375 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HE2' HD13 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD13 ' HE2' ' A' ' 41' ' ' LYS . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 66' ' ' GLU . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.568 0.223 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.61 151.78 58.74 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.823 2.349 . . . . 0.0 111.487 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -88.67 123.71 33.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.89 0.376 . . . . 0.0 111.531 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.5 84.47 4.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 172.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.2 149.94 37.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.023 0.916 . . . . 0.0 113.184 -173.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -149.31 115.82 5.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.703 -1.589 . . . . 0.0 108.945 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m -71.38 159.66 34.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 64' ' ' GLU . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.75 48.5 3.52 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 m -69.17 -37.59 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.571 0.224 . . . . 0.0 111.348 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -68.62 113.74 6.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.037 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -178.17 -171.68 0.28 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.799 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -86.51 42.16 0.99 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.09 -44.16 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.985 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.748 ' HG3' ' H ' ' A' ' 55' ' ' GLY . 6.4 tp-100 -175.3 -165.2 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.748 ' H ' ' HG3' ' A' ' 54' ' ' GLN . . . -71.85 -92.06 0.09 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.925 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.65 98.92 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.951 0.405 . . . . 0.0 111.62 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -129.97 120.6 19.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.185 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.2 85.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.749 2.3 . . . . 0.0 112.1 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -89.99 -25.36 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.833 -175.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -31.08 70.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.568 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.4 1.2 56.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.301 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' CD ' ' HZ2' ' A' ' 46' ' ' LYS . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG2' HD13 ' A' ' 77' ' ' LEU . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.7 -33.89 71.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.82 ' HG3' ' HG2' ' A' ' 74' ' ' GLU . 40.7 tptt -88.25 -75.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.82 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 11.2 mm-40 -112.62 118.52 35.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.92 -18.95 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.533 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.23 63.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.035 0.445 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD13 ' HG2' ' A' ' 70' ' ' GLN . 97.2 mt -67.35 -24.53 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.836 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.47 -29.71 68.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -76.85 -14.53 59.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.965 0.412 . . . . 0.0 111.387 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.85 48.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -70.11 -20.83 63.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.194 0.521 . . . . 0.0 110.748 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -71.33 -13.36 61.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.663 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -74.55 146.8 42.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.51 136.46 96.17 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.91 173.87 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.364 2.042 . . . . 0.0 112.211 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.61 92.6 4.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.4 pt-20 -76.91 -22.99 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.934 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -59.95 -24.05 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 93' ' ' HIS . 75.9 m -60.69 -24.42 65.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -75.9 -17.9 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.173 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -82.14 -52.82 6.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -85.67 18.45 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.108 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.613 ' HB2' ' O ' ' A' ' 89' ' ' CYS . 6.8 t-160 -90.82 91.15 8.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.978 0.418 . . . . 0.0 110.685 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -114.99 154.46 28.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -56.74 113.99 1.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 111.33 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -161.7 123.35 2.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.981 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.426 177.517 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.09 148.28 39.51 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.477 2.118 . . . . 0.0 112.073 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -93.41 108.68 20.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.185 0.517 . . . . 0.0 110.84 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -145.7 110.36 5.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.131 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.77 157.6 19.57 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -142.56 129.07 20.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -69.14 144.03 53.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.694 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 11' ' ' LYS . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.477 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.444 ' HB3' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.411 HD22 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HB ' HD22 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HA ' HD13 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 41' ' ' LYS . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.694 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.6 -3.78 68.1 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 -23.11 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 74.66 -65.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.922 0.763 . . . . 0.0 111.852 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.5 106.75 5.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.809 0.338 . . . . 0.0 110.228 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -177.07 109.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.444 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.63 -65.16 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.75 166.14 11.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 111.781 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.13 112.29 0.29 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p 48.88 93.84 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.867 0.867 . . . . 0.0 112.547 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 m -145.86 99.36 4.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.95 108.14 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.34 2.693 . . . . 0.0 112.066 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -71.11 -29.35 65.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.16 0.505 . . . . 0.0 111.285 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.0 65.98 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.646 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.13 -6.15 48.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.856 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.715 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -83.49 -31.86 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 31.5 mtmm 66.77 174.02 0.25 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.412 0.625 . . . . 0.0 112.308 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -90.95 113.98 26.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.903 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -130.92 177.9 7.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.43 69.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -46.9 -41.38 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.65 0.594 . . . . 0.0 112.303 -176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.02 -50.56 9.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.567 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -80.79 -19.02 45.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -169.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.98 -20.52 48.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.272 0.558 . . . . 0.0 111.109 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.78 -18.64 53.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.606 0.717 . . . . 0.0 110.019 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 m -97.26 -81.66 0.42 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.862 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -71.02 126.21 28.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.045 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.23 153.14 44.54 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.701 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.95 174.87 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.975 2.45 . . . . 0.0 112.603 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.72 25.59 4.02 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.692 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 1.1 mp0 -61.46 -21.7 64.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.136 0.493 . . . . 0.0 111.196 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -67.77 -29.82 69.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.878 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.9 p -68.3 -24.38 64.85 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -71.69 -15.9 62.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.14 -49.2 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 62.11 -172.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -120.86 -13.05 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.077 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.0 m80 52.52 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -79.2 117.56 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -67.66 130.95 44.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.828 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.15 169.27 16.21 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.569 2.18 . . . . 0.0 111.666 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 t -130.93 145.54 52.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.385 0.612 . . . . 0.0 110.788 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 6' ' ' TYR . 1.7 tmtp? -152.97 92.96 1.69 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.307 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.57 156.65 22.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.333 0.587 . . . . 0.0 111.69 -173.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' HE2' ' A' ' 4' ' ' LYS . 8.0 m-85 -144.37 150.76 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.868 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -77.43 149.82 35.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.403 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.617 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.89 19.41 38.36 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.3 p -88.0 -59.51 2.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.5 t30 63.52 -72.85 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.545 0.528 . . . . 0.0 110.034 -170.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 64.96 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.643 0.777 . . . . 0.0 111.879 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -127.1 12.85 7.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.4 t -71.86 -51.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.706 0.289 . . . . 0.0 110.302 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 54.89 -167.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.308 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.05 21.38 4.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.661 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -143.87 94.41 2.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.939 0.399 . . . . 0.0 110.136 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -79.43 116.59 61.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.242 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 61' ' ' ALA . 12.2 Cg_exo -71.03 151.65 61.99 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.02 2.48 . . . . 0.0 111.4 176.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -61.81 -36.69 81.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.236 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.96 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 111.026 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -93.87 6.38 48.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.361 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.514 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm -76.12 -28.72 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 4.2 mppt? 58.02 -104.57 0.22 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -168.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.81 150.21 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 172.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.22 149.67 23.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.676 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.63 69.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.58 -32.73 73.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.483 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.79 -25.34 53.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.34 0.591 . . . . 0.0 109.764 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 79' ' ' ARG . 2.2 tpm_? -69.7 -25.09 63.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.607 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.63 64.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.377 0.608 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -79.71 -11.82 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.602 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -93.42 -82.59 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.098 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -126.57 126.28 43.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.78 -174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.34 102.14 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 O-C-N 124.357 1.036 . . . . 0.0 112.736 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.95 -164.83 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.803 2.335 . . . . 0.0 111.55 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.83 88.58 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 91' ' ' GLU . 6.6 t -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.13 0.49 . . . . 0.0 110.708 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.41 -24.63 57.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.243 0.544 . . . . 0.0 109.982 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -74.9 -36.11 62.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' A' ' 88' ' ' SER . 39.0 mt-10 -58.79 -34.51 71.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.893 173.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 64.42 44.6 4.08 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -168.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -53.05 114.06 1.32 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.565 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -86.17 -48.09 8.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -74.67 122.37 23.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.398 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -145.51 147.56 32.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.487 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.243 0.722 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.256 176.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.6 ttt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.93 143.13 44.41 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.608 2.205 . . . . 0.0 111.951 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -153.86 169.3 23.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -152.24 110.61 3.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -97.57 -138.64 0.28 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.717 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -52.64 158.34 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.387 0.613 . . . . 0.0 112.113 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -111.15 161.83 15.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.143 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.409 HG23 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.542 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.419 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 19' ' ' GLU . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB3' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.56 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 p -62.1 -36.07 80.61 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 122.614 0.366 . . . . 0.0 111.6 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -94.93 115.18 27.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.302 0.572 . . . . 0.0 110.681 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -156.75 -36.86 0.08 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.795 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -156.27 78.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.412 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -82.47 -54.69 9.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.755 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -126.07 122.35 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.944 0.402 . . . . 0.0 111.419 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.82 27.03 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.1 p 49.81 93.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.663 1.185 . . . . 0.0 111.963 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -83.14 118.79 72.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.1 -35.74 98.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.846 2.364 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.63 -27.45 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.02 40.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.22 47.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.402 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.97 -43.55 44.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -102.27 25.45 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.595 -174.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 3.8 tp10 -63.76 -59.04 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.915 0.388 . . . . 0.0 110.452 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.45 -172.15 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.722 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.11 -11.26 59.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.9 mt -44.11 -53.64 6.25 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -76.16 -38.21 56.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.576 ' HD3' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -66.52 -25.35 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -176.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.21 74.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.401 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -81.35 -23.78 37.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -73.09 -16.26 61.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -92.9 144.71 25.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.351 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.82 94.56 36.89 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.459 0.171 . . . . 0.0 110.661 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -81.02 179.63 5.82 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.77 2.313 . . . . 0.0 112.089 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' HB1' ' SG ' ' A' ' 89' ' ' CYS . . . -165.42 121.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.43 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -22.8 46.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 p -67.93 -33.74 75.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.835 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.432 ' SG ' ' HB1' ' A' ' 86' ' ' ALA . 23.3 p -77.05 -25.36 52.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.944 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.84 -51.73 37.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.424 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.96 24.24 0.83 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.458 1.103 . . . . 0.0 113.154 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 64.85 94.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.624 0.77 . . . . 0.0 112.642 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.89 -22.61 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.751 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 96' ' ' HIS . 53.0 t-80 -82.51 150.88 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.523 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 25.9 t60 74.54 97.48 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.706 0.765 . . . . 0.0 109.905 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.964 -177.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 127.03 13.92 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 111.685 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.3 112.78 10.8 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.875 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -156.85 84.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -153.62 162.38 41.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.679 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -124.92 131.2 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.941 0.4 . . . . 0.0 110.705 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m -150.64 160.0 44.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HE2' HD13 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.637 HD13 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.77 53.58 0.59 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 40.3 t -55.65 -24.02 31.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.0 t-20 77.07 -34.12 0.21 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.013 0.525 . . . . 0.0 110.139 -176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' A' ' 49' ' ' SER . 29.8 m80 -76.46 93.62 3.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.904 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -82.94 71.61 10.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.805 0.812 . . . . 0.0 110.903 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.91 -42.65 69.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.475 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.78 103.02 9.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.791 170.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.67 -91.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.239 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.1 p 53.24 102.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.232 1.013 . . . . 0.0 113.098 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.3 m -62.62 122.48 74.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.966 174.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.49 127.63 27.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.801 2.334 . . . . 0.0 112.546 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -63.92 -21.05 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.55 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.23 62.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.253 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . -73.92 -5.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.573 ' HB3' ' HG3' ' A' ' 74' ' ' GLU . 30.4 mmtp -64.72 -26.49 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt 67.9 23.75 8.26 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.724 0.64 . . . . 0.0 110.803 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HG3' ' HB3' ' A' ' 72' ' ' LYS . 43.9 mt-10 -77.85 115.14 17.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.251 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 p30 -114.15 178.5 4.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.55 -28.33 61.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 111.309 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -64.09 -25.79 68.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.209 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -56.3 12.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -85.94 -14.98 43.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.241 0.544 . . . . 0.0 110.916 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.331 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.44 -17.95 60.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.79 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 -3.08 57.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.438 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -100.28 151.86 20.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.884 -0.51 . . . . 0.0 110.711 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -95.28 153.78 39.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.158 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.74 174.41 11.09 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.357 2.038 . . . . 0.0 112.637 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' HB1' ' SG ' ' A' ' 89' ' ' CYS . . . -127.79 68.67 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.862 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.28 -36.93 81.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.407 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -68.03 -40.02 82.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.79 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.416 ' SG ' ' HB1' ' A' ' 86' ' ' ALA . 8.1 m -73.54 -25.08 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 110.903 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.4 tp -70.97 -36.27 72.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.077 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.62 -48.81 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.753 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -144.3 131.0 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 111.24 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -130.42 168.9 16.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.448 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -81.57 123.72 28.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.77 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -129.12 125.08 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -86.74 133.12 33.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.184 0.516 . . . . 0.0 111.142 -174.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.938 178.358 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -87.62 45.0 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.384 2.723 . . . . 0.0 111.911 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 p -81.23 107.49 14.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.658 0.742 . . . . 0.0 111.711 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -109.82 94.07 4.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.907 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -119.14 162.16 19.1 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 -175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.43 154.73 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.585 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m -61.53 140.13 58.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.15 0.281 . . . . 0.0 110.278 176.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.643 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD21 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HD11 HD22 ' A' ' 33' ' ' LEU . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.97 57.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 m -70.58 -24.47 62.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.524 0.202 . . . . 0.0 111.52 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.31 -57.96 8.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.167 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.2 t60 61.58 25.55 15.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.702 0.763 . . . . 0.0 110.19 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -80.57 82.21 6.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.224 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -71.95 -37.74 62.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -89.76 129.97 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.316 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.67 11.29 5.82 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.676 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 73.08 115.45 0.06 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.77 0.795 . . . . 0.0 111.305 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.1 m -98.07 124.89 45.82 Favored Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.201 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 157.32 59.33 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.634 2.223 . . . . 0.0 112.802 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -65.75 -23.34 66.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.718 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.91 63.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.1 -5.56 59.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.653 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -64.15 -16.26 61.52 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -75.16 175.41 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.03 122.77 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.961 0.41 . . . . 0.0 111.061 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -120.04 -171.33 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.281 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 85' ' ' PRO . . . -58.72 -26.74 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.89 -35.27 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -81.26 -27.46 35.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -81.03 -16.31 53.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.02 62.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.348 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -70.0 -25.58 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 111.49 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -105.34 -82.66 0.52 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.587 ' O ' ' HD3' ' A' ' 85' ' ' PRO . 41.1 ttt180 -108.39 140.43 41.7 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -93.32 107.28 24.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD3' ' O ' ' A' ' 83' ' ' ARG . 80.4 Cg_endo -98.33 -171.19 0.13 Allowed 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 123.682 2.922 . . . . 0.0 111.614 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 48.71 68.25 0.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.673 0.608 . . . . 0.0 111.378 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.63 -26.57 56.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.08 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -86.57 -50.18 7.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.878 0.37 . . . . 0.0 111.148 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 37.0 t -67.37 -32.41 73.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.346 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.57 -36.97 85.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.87 -40.69 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.0 m80 66.67 169.61 0.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.716 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -118.37 113.61 21.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.348 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 32.1 m170 -90.47 168.33 11.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 94' ' ' HIS . 23.3 m-70 74.28 104.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.667 0.604 . . . . 0.0 110.087 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -149.71 147.62 28.27 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.586 176.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.92 -29.66 67.24 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.465 2.11 . . . . 0.0 111.238 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -97.31 121.19 38.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.724 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -120.54 17.06 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.256 0.55 . . . . 0.0 110.674 177.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 154.39 42.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.106 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 4.6 p90 -115.05 156.89 24.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.407 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -85.01 159.09 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.476 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 HG21 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.457 ' CG ' HD11 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG21 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' HD13 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' HA ' HG23 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' A' ' 49' ' ' SER . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.79 28.61 14.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.53 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 23.1 t -79.62 -36.57 37.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.165 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.8 t30 60.8 -98.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.82 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -154.01 85.14 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.366 . . . . 0.0 110.53 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.21 56.27 0.93 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.387 0.613 . . . . 0.0 109.557 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.8 p -75.73 -50.57 22.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.378 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.59 103.36 11.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.522 175.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.64 121.39 0.72 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.039 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p 51.24 93.76 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.039 0.936 . . . . 0.0 112.367 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 100.58 37.31 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.397 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.08 -19.36 45.39 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.954 2.436 . . . . 0.0 112.046 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -64.54 -33.8 76.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.614 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -30.31 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 111.116 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 -0.87 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.202 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.552 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -71.67 -30.55 65.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -128.16 105.9 8.68 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.63 113.6 1.02 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.851 0.834 . . . . 0.0 112.479 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.73 -15.43 63.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.021 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.14 60.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.638 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.94 -38.74 92.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 0.0 110.799 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -39.6 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.04 -21.33 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.984 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.99 42.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.738 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -85.19 -27.03 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.786 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -90.39 5.22 48.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.761 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 67.0 140.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.839 0.828 . . . . 0.0 112.776 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.04 111.36 32.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.475 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.44 173.15 14.76 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.355 2.037 . . . . 0.0 113.08 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.38 170.08 10.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.34 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.71 -54.7 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.343 0.402 . . . . 0.0 111.503 -177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -63.49 -34.96 78.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.403 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.4 m -75.42 -30.93 60.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.677 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.91 -38.69 89.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.975 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.42 -47.14 87.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m80 60.2 -175.37 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.614 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 59.89 88.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.124 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -144.6 -70.12 0.29 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 68.43 133.48 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.843 0.714 . . . . 0.0 110.558 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -125.66 167.66 14.81 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.25 1.114 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.41 -12.86 32.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.961 2.441 . . . . 0.0 113.166 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m 67.38 144.54 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.262 0.625 . . . . 0.0 111.294 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -137.8 100.04 4.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 111.03 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.73 164.16 27.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.714 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 2.2 p90 -148.63 177.57 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m -96.86 134.41 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HA ' HG21 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.26 71.58 0.21 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 28.2 m -56.03 -24.5 39.77 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 49' ' ' SER . 24.1 t-20 73.68 -60.03 0.54 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.127 0.571 . . . . 0.0 111.837 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.3 -41.73 39.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.5 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.52 64.27 7.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 109.746 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 54' ' ' GLN . 7.6 p -81.61 -49.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.891 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' N ' HG11 ' A' ' 53' ' ' VAL . 20.5 tp60 61.23 23.57 13.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.972 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.52 -104.9 1.12 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.504 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 p -145.35 101.3 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.805 0.336 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.9 t -55.68 112.5 4.33 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.347 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.49 106.91 0.77 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.785 2.323 . . . . 0.0 112.788 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 t -67.57 -24.01 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.182 0.515 . . . . 0.0 110.461 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -20.6 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.671 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.33 50.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.397 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.86 3.46 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -123.4 111.29 16.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 174.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -59.21 114.16 2.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.018 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.64 -176.27 3.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.137 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.05 84.94 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.523 0.514 . . . . 0.0 112.191 -175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.6 -38.6 89.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.072 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.31 -37.05 80.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -82.37 -19.18 39.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.38 -19.74 55.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.58 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.78 -22.24 13.6 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 m -67.17 -19.47 65.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.169 0.509 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -131.92 158.71 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.177 0.513 . . . . 0.0 111.136 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -125.04 101.92 31.69 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.23 173.9 12.3 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.35 2.033 . . . . 0.0 112.84 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.5 87.09 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -31.09 61.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.98 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -62.89 -35.48 80.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.7 t -74.63 -24.12 58.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.16 -50.14 56.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 110.823 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.52 -42.47 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.737 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -94.76 67.59 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -103.82 150.42 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.439 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -133.36 170.93 14.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.211 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -90.1 97.7 11.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 57.55 -97.25 0.07 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.959 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.959 0 C-N-CA 123.653 0.781 . . . . 0.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.35 -27.78 23.21 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.987 2.458 . . . . 0.0 112.512 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -162.42 167.14 24.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.486 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 tptt 66.88 114.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.303 1.002 . . . . 0.0 111.995 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -89.44 -154.62 0.32 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.474 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' HD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -46.25 128.86 10.05 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 112.597 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p -100.19 -169.44 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.347 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' HG21 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 25' ' ' SER . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.2 t-20 -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HZ3' HD11 ' A' ' 45' ' ' ILE . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 HD11 ' HZ3' ' A' ' 41' ' ' LYS . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' HD3' ' HB3' ' A' ' 52' ' ' ASN . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.55 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.25 -31.35 74.4 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m -76.81 -55.69 5.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -176.67 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.961 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -164.55 159.1 18.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.33 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.654 ' HB3' ' HD3' ' A' ' 46' ' ' LYS . 1.4 p30 -90.34 75.46 6.87 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.937 0.875 . . . . 0.0 110.638 177.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.19 -21.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.183 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 61.52 79.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.37 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.66 100.97 0.28 Allowed Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.969 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -153.5 110.14 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.79 0.805 . . . . 0.0 109.943 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -125.63 132.19 24.24 Favored Pre-proline 0 C--N 1.298 -1.658 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.997 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.97 74.3 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.826 2.35 . . . . 0.0 113.569 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -74.61 -24.32 58.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.535 0.683 . . . . 0.0 109.734 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.31 63.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.918 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.65 1.62 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 1.9 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.71 -42.06 61.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.899 ' HE2' ' HG3' ' A' ' 78' ' ' GLN . 59.1 mtpt -76.66 93.56 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.0 pt-20 -93.38 154.73 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.517 -168.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 50.4 -153.07 0.16 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.834 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.576 ' HA ' HH21 ' A' ' 79' ' ' ARG . . . -68.03 -28.4 67.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.996 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 74' ' ' GLU . 4.5 pp -62.1 -26.3 68.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.439 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.899 ' HG3' ' HE2' ' A' ' 73' ' ' LYS . 6.1 tt0 -55.35 -49.79 71.32 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.039 0.447 . . . . 0.0 110.539 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.576 HH21 ' HA ' ' A' ' 76' ' ' ALA . 34.8 mtm180 -72.29 -21.67 61.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.878 -177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.6 -38.74 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -77.99 -25.6 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.196 0.522 . . . . 0.0 111.206 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.6 m -76.95 -18.82 58.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.61 0.719 . . . . 0.0 109.894 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -85.92 124.53 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.663 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -96.22 119.25 64.73 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.135 0.493 . . . . 0.0 110.836 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -91.29 -175.6 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.16 0 C-N-CA 122.852 2.368 . . . . 0.0 110.969 171.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.96 110.7 10.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 4.7 tp10 -56.39 -44.15 79.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.567 ' HA ' ' HB2' ' A' ' 91' ' ' GLU . 58.8 m -67.32 -22.9 65.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.779 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.09 -24.53 67.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.289 0.566 . . . . 0.0 109.97 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.1 tp -95.94 -36.08 11.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.394 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 88' ' ' SER . 50.3 mt-10 -60.11 -33.56 72.29 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.06 138.63 55.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.193 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -93.53 -92.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.668 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 t60 63.19 114.83 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.604 0.565 . . . . 0.0 111.14 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -53.13 124.22 13.85 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.057 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.532 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 6.0 p80 -80.17 126.14 30.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 96' ' ' HIS . 40.2 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.167 0.917 . . . . 0.0 109.697 -170.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.775 0.321 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.62 -43.01 4.28 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.623 2.215 . . . . 0.0 111.705 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 p -95.59 106.61 18.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.182 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.41 112.91 24.43 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 121.44 0.638 . . . . 0.0 109.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -101.25 157.79 16.52 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.545 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -133.69 106.38 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.086 0.469 . . . . 0.0 110.691 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m -72.59 166.0 23.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' CG ' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 HD12 HD11 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 35' ' ' ILE . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.536 ' HA ' HG23 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.68 35.95 3.87 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -64.4 -24.55 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 111.711 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.96 -0.83 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.49 . . . . 0.0 111.168 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -120.12 -176.31 3.17 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.287 -175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.95 100.56 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 O-C-N 124.176 0.923 . . . . 0.0 112.385 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.81 -34.8 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.041 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 58.37 71.04 0.6 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.153 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.17 -127.91 0.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.851 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 68.14 107.78 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.655 0.74 . . . . 0.0 110.041 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.5 m -132.58 111.14 13.66 Favored Pre-proline 0 C--N 1.311 -1.099 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.086 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.77 163.94 37.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.036 2.491 . . . . 0.0 112.283 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -64.52 -26.8 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 111.353 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.51 64.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.017 0.436 . . . . 0.0 110.973 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.56 -5.34 59.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.755 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -76.13 -12.44 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 9.7 mtpm? -78.86 54.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.083 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' OE2' ' HG ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -111.63 -13.88 13.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 178.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 t30 74.17 -29.21 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.37 -20.3 62.86 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.981 0.512 . . . . 0.0 112.313 -175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' OE2' ' A' ' 74' ' ' GLU . 91.3 mt -49.74 -46.31 50.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -73.42 -34.68 65.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.587 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -76.71 -13.89 60.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.224 -174.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.458 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -74.3 -24.16 59.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.972 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 m -67.93 -28.28 67.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.805 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 66.2 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.332 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -101.41 153.23 37.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.245 172.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.31 174.08 9.64 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.197 1.931 . . . . 0.0 112.29 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.17 24.99 5.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.528 0.68 . . . . 0.0 110.351 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.07 -22.77 63.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.573 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -70.45 -26.91 63.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.183 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.94 -23.2 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.64 -40.02 78.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.462 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.48 -35.59 73.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.605 0.24 . . . . 0.0 111.345 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -115.15 93.7 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.747 0.308 . . . . 0.0 111.003 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -67.49 127.32 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -75.36 128.84 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 111.628 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.73 100.12 6.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.89 174.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -61.33 164.17 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.318 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.85 171.498 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.83 -38.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.227 2.618 . . . . 0.0 112.558 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -92.92 118.57 31.28 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.423 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 65.0 88.51 0.1 Allowed 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.858 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -119.52 158.1 26.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 3.6 p90 -135.67 170.53 15.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -111.47 145.98 38.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.412 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.7 HD11 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 52' ' ' ASN . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.91 -29.86 62.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 18.3 m -78.77 -59.27 2.85 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 49' ' ' SER . 59.2 t30 163.32 -69.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.845 0.716 . . . . 0.0 109.835 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 118.29 7.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.882 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 23.2 t-20 -158.73 102.48 1.69 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.596 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 t -67.13 -68.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.779 -173.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 9.5 mt-30 -157.9 119.1 3.53 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.52 0.513 . . . . 0.0 109.841 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' C ' ' HG1' ' A' ' 56' ' ' THR . . . 104.29 149.24 19.72 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.949 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' A' ' 55' ' ' GLY . 2.0 m -156.1 108.01 2.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -139.01 120.97 10.18 Favored Pre-proline 0 C--N 1.303 -1.426 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.166 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.705 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 60.7 Cg_endo -98.93 103.93 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.506 2.804 . . . . 0.0 112.889 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -80.8 -49.17 11.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.749 0.309 . . . . 0.0 111.277 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.1 50.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.398 . . . . 0.0 111.535 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.705 ' HB1' ' HB2' ' A' ' 58' ' ' PRO . . . -75.1 -4.66 39.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.836 -177.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.16 -57.01 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -128.77 130.13 46.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.37 123.84 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.795 0.807 . . . . 0.0 112.108 -173.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -60.27 -26.64 66.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.921 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.07 -26.51 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.108 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.27 -28.41 64.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.649 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -81.75 -24.76 35.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.382 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -69.94 -13.17 62.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 -20.03 65.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -69.82 -15.72 63.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.199 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -55.59 -35.54 65.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 59.63 109.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.355 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -120.86 100.72 46.03 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.517 -175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -87.82 -170.5 0.57 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.594 2.196 . . . . 0.0 111.763 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.6 148.05 48.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.69 -31.43 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.436 0.46 . . . . 0.0 110.965 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.6 m -61.15 -40.62 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.8 -23.98 48.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.891 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.38 -39.98 85.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.787 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -41.56 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.559 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -76.91 105.91 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.359 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -123.69 97.09 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -61.43 125.88 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.829 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -148.75 145.56 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -146.32 119.12 8.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.795 178.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.72 -63.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 111.855 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -174.01 -177.02 1.26 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.953 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -131.24 89.44 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -95.23 152.82 18.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.731 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -133.61 103.62 5.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.771 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m -102.9 -179.09 3.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD11 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.704 HD23 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.464 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.704 ' HG3' HD23 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' ' 45' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.58 -24.51 76.18 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 10.4 t -82.92 -21.8 34.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.485 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.5 t30 77.35 -75.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.969 0.793 . . . . 0.0 110.853 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -147.23 163.18 37.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 52.73 53.75 11.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.905 0.859 . . . . 0.0 108.99 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG12 ' NE2' ' A' ' 54' ' ' GLN . 24.0 t -59.87 -65.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.568 -174.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' NE2' HG12 ' A' ' 53' ' ' VAL . 1.6 mp0 -109.92 56.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.676 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' C ' ' HG1' ' A' ' 56' ' ' THR . . . -68.29 -32.77 76.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.835 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' ' 55' ' ' GLY . 39.7 p 50.23 93.99 0.01 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.056 0.943 . . . . 0.0 112.678 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -120.78 88.43 43.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.25 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.475 ' HB2' HG22 ' A' ' 62' ' ' VAL . 4.4 Cg_exo -76.1 111.02 3.19 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.886 2.391 . . . . 0.0 112.104 -175.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 p -85.73 -51.48 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.968 0.413 . . . . 0.0 110.879 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.75 -30.94 16.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.612 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.71 -5.37 40.2 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -170.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 58' ' ' PRO . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.07 -4.85 59.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 50.6 tttm 58.06 -95.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.478 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' HG2' ' HG2' ' A' ' 73' ' ' LYS . 12.6 pt-20 -169.65 174.58 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.53 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -134.46 -3.14 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.547 172.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.1 79.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.788 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.2 pp -54.91 -26.01 33.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.264 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 77' ' ' LEU . 27.2 mm-40 -75.61 -49.86 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.055 0.455 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -74.43 -14.86 60.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.866 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.796 ' HA ' ' HD3' ' A' ' 83' ' ' ARG . . . -61.66 -24.56 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.097 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.647 ' HE ' ' HA ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -85.54 -24.29 27.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -85.19 -19.53 31.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.279 0.561 . . . . 0.0 110.769 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.796 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 26.6 mtp85 -64.97 117.86 8.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 111.054 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.603 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 31.9 m80 -147.31 177.54 1.74 Allowed Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.356 -177.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 84' ' ' HIS . 75.4 Cg_exo -52.09 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.563 2.175 . . . . 0.0 113.122 175.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.41 176.5 5.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.646 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -26.51 44.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.936 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 p -56.37 -33.8 66.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.603 -173.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.42 -23.61 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 111.327 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.7 -43.95 13.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.53 -43.86 98.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.886 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -82.62 136.07 34.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.917 -171.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 74.05 7.35 4.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.692 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -81.83 62.94 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -101.57 107.7 19.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.698 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -93.79 126.82 39.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.359 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.338 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.932 0.396 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.99 -39.21 2.38 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.856 2.371 . . . . 0.0 111.876 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -154.7 170.82 20.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.747 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -136.34 95.11 3.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 154.24 22.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.221 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 t80 -158.38 120.39 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -58.3 136.79 57.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 -172.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.543 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 11' ' ' LYS . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HE2' HD12 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.539 HD12 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.86 29.68 9.54 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -72.66 -50.25 26.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.519 0.676 . . . . 0.0 109.736 174.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -145.59 -50.71 0.24 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.05 -0.977 . . . . 0.0 108.578 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -167.0 -26.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.758 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.0 96.24 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.574 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.48 -40.28 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.836 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -84.37 96.66 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.778 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.28 67.24 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.016 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 73.57 110.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.418 0.687 . . . . 0.0 111.031 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 m -153.6 105.37 2.53 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.555 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.61 94.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.977 2.452 . . . . 0.0 111.386 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -89.91 -51.64 5.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.045 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.17 -20.52 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.4 -5.04 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.939 -175.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG3' ' HB2' ' A' ' 74' ' ' GLU . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? -71.23 -21.86 62.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.68 91.49 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.995 0.518 . . . . 0.0 111.978 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 38.7 mt-10 -136.93 113.13 9.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -173.63 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.238 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.93 -22.59 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.664 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.62 -52.71 64.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.173 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.94 -30.8 31.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -68.27 -21.39 64.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 0.0 110.668 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.76 61.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.803 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -72.78 -10.46 59.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.946 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -87.2 5.08 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.172 0.511 . . . . 0.0 110.915 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -89.43 152.92 21.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -113.43 160.2 32.43 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -56.81 173.13 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.758 2.306 . . . . 0.0 113.497 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.43 24.23 7.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.1 pt-20 -61.32 -44.77 96.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 m -72.84 -23.59 60.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 0.0 110.883 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.74 -36.17 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -74.4 -20.03 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.49 -30.61 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.784 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -83.38 79.11 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.237 0.541 . . . . 0.0 111.55 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -148.61 149.49 31.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.063 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 m170 65.06 -168.86 0.21 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.424 0.452 . . . . 0.0 110.923 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -124.52 142.62 51.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -94.12 132.27 38.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 110.815 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.174 175.384 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -10.85 16.28 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.505 2.136 . . . . 0.0 111.962 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.59 130.45 43.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -145.04 86.8 1.79 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -108.93 159.9 16.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.86 -169.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HD1' ' HE2' ' A' ' 11' ' ' LYS . 2.8 p90 -138.81 114.8 10.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.46 175.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p -71.09 155.91 40.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.698 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.698 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.63 62.45 3.39 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -48.26 -39.48 21.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.519 0.728 . . . . 0.0 112.177 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 72.34 -49.69 0.69 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.834 0.708 . . . . 0.0 112.466 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -74.78 133.52 41.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.635 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -140.35 109.72 6.23 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.8 m -50.71 -26.82 4.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 61.49 82.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.464 0.65 . . . . 0.0 110.314 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.34 -109.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.501 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p 46.74 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.445 0.698 . . . . 0.0 111.971 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.422 HG23 ' HB2' ' A' ' 60' ' ' ALA . 1.8 t -138.15 109.54 8.3 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 121.156 0.503 . . . . 0.0 111.162 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 57' ' ' THR . 36.6 Cg_endo -65.81 -28.89 50.9 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.807 2.338 . . . . 0.0 111.845 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -65.59 -37.1 85.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.947 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -79.63 -20.19 47.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.0 110.783 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -81.52 -30.58 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.588 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -80.52 102.32 9.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 66.37 114.0 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.259 0.974 . . . . 0.0 110.744 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.75 176.52 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.222 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -27.26 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.89 -26.46 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 111.503 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -79.83 -50.74 10.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.693 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 10.3 tpt85 -82.16 -14.07 56.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.58 -172.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.4 -18.68 18.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.452 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.01 -26.18 24.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.7 m -76.77 -34.72 58.01 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -123.63 -171.25 2.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.091 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -144.9 109.42 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.912 0.387 . . . . 0.0 110.944 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.64 176.28 9.7 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.449 2.099 . . . . 0.0 112.212 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 89' ' ' CYS . . . -139.43 35.14 2.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.1 pt-20 -52.9 -47.67 67.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.294 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 m -80.78 -25.58 37.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 86' ' ' ALA . 37.4 t -71.93 -34.18 68.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -70.16 -30.32 67.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.56 -43.49 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.591 0.234 . . . . 0.0 111.169 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 67.92 -174.43 0.19 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -166.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 2.5 t-160 -104.45 -23.42 13.17 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.043 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 50.8 m-70 72.61 139.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.388 176.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -152.62 145.85 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.394 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -149.87 162.66 39.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 110.472 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 167.698 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.678 0.275 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.83 164.23 6.11 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -132.93 150.87 52.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.125 0.488 . . . . 0.0 110.189 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 102.41 0.26 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.874 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.71 154.91 49.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.96 0.41 . . . . 0.0 110.916 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -138.99 107.6 5.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.759 176.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p -78.86 162.34 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' HG ' HD11 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 HD11 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 29' ' ' ILE . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 ' HA ' HG23 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.47 -40.54 68.03 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 m -87.7 -24.08 23.97 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.614 -0.344 . . . . 0.0 111.397 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 68.49 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.62 0.768 . . . . 0.0 110.183 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -143.53 3.71 1.32 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.552 0.691 . . . . 0.0 109.278 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -90.72 74.07 6.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.988 -172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.92 -52.29 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 171.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.44 23.11 6.4 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.53 88.19 1.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.517 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -144.02 104.22 4.11 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.504 0.669 . . . . 0.0 109.259 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -75.38 156.26 85.47 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.639 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 8.0 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.103 2.535 . . . . 0.0 113.129 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -66.78 -20.83 66.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.16 0.505 . . . . 0.0 110.454 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.16 -19.41 51.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.63 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.55 45.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.917 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.602 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -81.4 3.63 23.77 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -119.33 -28.12 5.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.035 0.445 . . . . 0.0 110.926 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.79 155.83 37.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.179 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 9.6 p30 -135.21 164.48 27.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.634 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.34 -26.67 63.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.306 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 95.7 mt -63.08 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.446 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -81.12 -29.29 34.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.013 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' ARG . 23.4 mmt180 -74.06 -13.63 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -20.26 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.699 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -85.84 -25.09 26.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.812 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.5 m -72.27 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 0.0 110.558 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -102.46 114.0 27.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -117.93 93.82 45.03 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.323 -172.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -92.31 -172.12 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.928 2.419 . . . . 0.0 112.151 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 89' ' ' CYS . . . -111.58 127.8 55.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.964 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.84 -59.2 4.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.71 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -75.76 -23.51 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.721 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 97.5 m -65.5 -23.26 66.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.3 -36.82 85.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.583 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 92' ' ' HIS . 13.9 mt-10 -81.32 -53.53 6.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.708 0.766 . . . . 0.0 109.818 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 91' ' ' GLU . 37.4 m-70 -100.85 68.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.186 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.34 120.36 12.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -74.84 157.18 35.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.541 -169.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -116.01 123.77 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -106.5 116.75 32.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.489 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.92 -23.86 40.47 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.386 2.057 . . . . 0.0 111.473 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -104.19 113.21 26.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.703 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -132.65 85.5 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 155.99 26.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.621 -173.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.03 166.37 20.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.739 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m -118.92 141.51 48.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.481 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.523 ' HB2' HG22 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.41 82.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.3 m -77.42 -24.1 50.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.03 114.91 14.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.349 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 59.44 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -75.03 78.83 2.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.161 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' HB ' ' OE1' ' A' ' 54' ' ' GLN . 25.2 t -58.98 -40.44 80.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HG3' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.64 82.5 3.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.335 174.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.35 -89.03 0.95 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 p 49.02 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.845 0.858 . . . . 0.0 111.801 -176.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -84.32 111.49 34.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.981 -174.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.711 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 89.7 Cg_endo -96.9 -172.57 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.327 2.685 . . . . 0.0 111.524 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -67.09 -25.7 66.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.221 0.534 . . . . 0.0 110.74 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.81 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.632 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . . . -77.73 -5.09 49.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.703 -175.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.52 4.32 18.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.4 pttp -89.96 -177.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.99 -172.45 0.17 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.947 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -123.91 130.09 52.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.051 0.929 . . . . 0.0 112.407 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.41 -13.81 51.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.424 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -51.69 -42.22 62.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.494 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.74 -36.6 76.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.061 0.458 . . . . 0.0 111.094 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -88.95 -24.7 22.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 110.705 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.22 65.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.049 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -65.13 -18.64 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.816 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -70.78 -16.23 62.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.699 0.761 . . . . 0.0 110.38 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -112.91 -170.83 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -149.84 138.04 12.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.379 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -86.02 -156.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.213 2.609 . . . . 0.0 111.681 176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 63.03 94.75 0.05 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.731 0.644 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.7 pt-20 -57.0 -22.72 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.536 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -51.65 -24.2 5.31 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.215 0.606 . . . . 0.0 112.08 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.1 p -63.69 -23.43 67.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -63.43 -19.04 64.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.74 0.305 . . . . 0.0 111.159 -177.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.09 -39.8 83.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.438 0.637 . . . . 0.0 109.4 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -109.4 61.44 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.0 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 5.7 p-80 -59.37 154.95 15.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 19.0 m-70 79.24 -178.43 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.227 0.955 . . . . 0.0 109.236 -166.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -56.33 136.0 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.753 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.906 0.754 . . . . 0.0 110.803 -177.598 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.97 -29.88 57.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.786 2.324 . . . . 0.0 113.106 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.6 t -104.21 172.47 6.78 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 14.5 tmtt? 56.75 77.89 0.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.016 0.912 . . . . 0.0 109.515 -173.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -87.33 174.79 8.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.788 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -136.21 178.92 6.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.201 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m -146.99 152.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.113 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.506 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.82 -11.01 68.83 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -78.54 -24.15 45.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.705 0.288 . . . . 0.0 110.526 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 47' ' ' TYR . 54.0 m-80 -62.79 123.89 19.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.564 0.697 . . . . 0.0 110.704 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -69.64 -37.2 76.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.776 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -172.25 122.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.0 m -53.59 -41.16 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.992 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 53.11 94.48 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.78 -135.63 4.56 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.79 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -146.97 101.58 3.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.5 p -68.81 144.64 96.15 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.077 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.45 110.92 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.108 2.539 . . . . 0.0 113.207 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 p -75.13 -19.42 59.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.737 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -20.1 58.57 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.121 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.21 -5.76 43.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt -77.45 -19.56 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 61.27 87.76 0.09 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.495 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.37 113.8 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.54 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -113.37 158.54 20.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.959 -175.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.74 59.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.727 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 84.7 mt -62.36 -50.42 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.7 -27.79 69.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.663 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 79' ' ' ARG . 6.3 tpp180 -81.67 -27.91 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 110.632 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.86 -20.17 42.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.53 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 77' ' ' LEU . 29.7 mtp180 -68.09 -12.02 60.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -176.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 m -56.6 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.57 0.544 . . . . 0.0 111.65 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -124.26 150.17 45.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.892 0.377 . . . . 0.0 110.128 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -127.25 153.43 76.94 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.839 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.49 174.7 6.96 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.98 1.787 . . . . 0.0 111.435 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.95 114.72 29.07 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.73 0.3 . . . . 0.0 110.964 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 2.0 mp0 -70.82 -22.85 62.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.427 0.632 . . . . 0.0 109.725 174.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 -23.56 12.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.556 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.36 -23.9 64.65 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.7 pp -72.06 -17.03 62.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -52.92 62.48 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.6 t60 69.51 129.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.162 0.914 . . . . 0.0 111.572 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.68 131.22 46.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.222 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.1 153.19 40.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -114.23 138.49 50.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 5.3 t-80 -112.33 138.59 48.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 40.4 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.284 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.582 0.23 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -85.09 -10.37 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.736 2.291 . . . . 0.0 112.126 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 133.55 42.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.101 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -135.93 119.66 17.22 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.059 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -114.65 154.17 28.88 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.15 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.8 120.32 40.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -62.96 157.22 22.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.165 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.23 59.07 4.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -67.28 -23.61 65.69 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.763 0.425 . . . . 0.0 111.287 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -66.91 121.79 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.211 0.529 . . . . 0.0 110.119 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -77.54 -32.74 54.11 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.036 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.09 86.18 2.27 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.467 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 56' ' ' THR . 62.1 t -63.66 -53.46 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 60.8 -142.75 0.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.122 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.55 56.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.318 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER 44.99 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -176.269 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 13.5 p -89.98 111.02 44.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.115 0.484 . . . . 0.0 110.976 177.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 2.5 Cg_endo -82.45 125.88 4.59 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.071 2.514 . . . . 0.0 111.828 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -60.13 -23.23 63.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.051 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.72 29.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.922 0.392 . . . . 0.0 111.219 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.49 11.21 17.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 39.2 tttm -67.11 -33.28 75.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 75.2 mmtt 74.56 125.85 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.073 0.858 . . . . 0.0 110.681 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.78 -14.46 20.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.642 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.563 ' HB3' HD23 ' A' ' 77' ' ' LEU . 15.1 t-20 -88.61 172.01 9.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.835 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.42 -13.12 61.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 75' ' ' ASN . 2.6 pt? -57.51 -26.04 60.72 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -57.18 -27.96 62.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 111.53 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -72.05 -14.6 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.187 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.34 65.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -73.08 -25.33 60.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.188 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -58.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.388 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.01 127.31 18.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.969 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -117.53 158.86 44.07 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.816 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -75.25 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.908 2.405 . . . . 0.0 112.12 175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.16 172.66 7.68 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.155 0.502 . . . . 0.0 111.482 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -24.22 61.64 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.297 -174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -64.87 -26.58 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.839 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.0 -33.98 76.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.137 0.494 . . . . 0.0 110.429 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -78.01 -22.27 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.496 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.36 -33.65 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.546 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -65.11 107.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 111.612 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -117.41 133.91 55.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.756 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -66.47 133.18 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.216 0.532 . . . . 0.0 111.842 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -91.33 -2.69 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.256 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 59.21 71.9 0.56 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--O 1.244 0.811 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.022 -164.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.5 -54.97 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.381 2.054 . . . . 0.0 111.043 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -142.02 151.93 42.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.354 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -80.32 103.62 10.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 151.68 19.2 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.871 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.592 ' HE1' ' HE3' ' A' ' 11' ' ' LYS . 39.1 p90 -154.94 163.41 40.35 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.141 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -116.46 163.02 16.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.481 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HE3' ' HE1' ' A' ' 6' ' ' TYR . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.537 ' HA ' HD13 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.604 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.536 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.488 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.58 -11.72 69.05 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -79.8 -25.17 40.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 t30 64.12 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.636 0.585 . . . . 0.0 111.152 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -151.28 89.63 1.52 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.26 35.75 3.31 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.865 0.841 . . . . 0.0 109.062 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.84 -29.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.144 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -119.58 145.82 46.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.424 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 83.23 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.226 173.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m 44.52 96.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.339 1.056 . . . . 0.0 113.647 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.0 m -106.87 110.56 63.7 Favored Pre-proline 0 C--N 1.309 -1.161 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.262 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.26 -21.12 48.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.067 2.511 . . . . 0.0 112.495 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -64.39 -25.22 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.51 -21.07 45.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.103 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.53 -5.2 44.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp -71.64 -50.52 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -84.96 89.78 7.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.227 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.54 -72.9 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.303 0.573 . . . . 0.0 110.487 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 5.4 p30 -136.3 167.26 21.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.83 -173.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.78 -24.22 63.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.51 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 89.9 mt -61.6 -32.63 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -62.52 -36.4 82.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.282 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -86.2 -14.6 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.99 -20.87 60.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.101 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -74.96 -25.14 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.374 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -69.91 -23.81 63.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.043 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -86.1 146.72 26.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.804 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.07 81.41 28.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -93.21 -174.79 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 123.14 2.56 . . . . 0.0 111.872 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' HB1' ' SG ' ' A' ' 89' ' ' CYS . . . -143.44 141.19 30.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.395 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.06 -22.93 55.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -60.07 -26.62 66.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.809 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 86' ' ' ALA . 68.3 m -70.77 -24.2 62.55 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.62 -42.94 77.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.078 0.466 . . . . 0.0 109.905 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 93' ' ' HIS . 41.0 tt0 -80.12 -47.1 15.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.166 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 61.75 31.42 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.153 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.523 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 4.7 m80 -120.62 -169.51 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -129.92 48.14 2.42 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -58.02 -77.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.095 -176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 60.38 175.77 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.467 0.479 . . . . 0.0 110.862 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.378 174.074 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.706 0.288 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.48 18.19 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.762 2.974 . . . . 0.0 113.597 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p 54.19 103.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.375 1.07 . . . . 0.0 112.337 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -100.51 -3.04 31.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.252 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -60.5 124.65 21.0 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.166 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -101.68 139.39 37.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.312 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -69.13 156.07 39.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.451 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.659 ' HE2' HD13 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.721 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.18 48.06 0.85 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.721 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 30.8 p -89.78 -57.74 2.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.114 0.483 . . . . 0.0 111.92 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.39 -22.83 17.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -170.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.99 115.06 15.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.54 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -83.36 72.75 10.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.68 -27.59 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -75.68 119.52 19.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.721 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.61 -136.96 1.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.799 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.8 p -142.1 93.38 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.752 0.787 . . . . 0.0 111.741 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 p -140.44 82.84 15.8 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.332 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -69.81 113.84 3.51 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.741 2.294 . . . . 0.0 113.318 -172.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 m -77.04 -33.1 57.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.686 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.81 -20.32 61.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.459 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.02 -2.3 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.361 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.627 ' HA ' HD21 ' A' ' 75' ' ' ASN . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.23 -18.51 60.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HZ1' ' CD ' ' A' ' 74' ' ' GLU . 55.0 tttm 71.88 129.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.634 0.584 . . . . 0.0 111.407 177.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' CD ' ' HZ1' ' A' ' 73' ' ' LYS . 7.4 mp0 65.13 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.988 -173.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.627 HD21 ' HA ' ' A' ' 69' ' ' ARG . 7.6 t-20 59.14 -157.8 0.32 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.3 -16.54 62.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD11 ' HD3' ' A' ' 69' ' ' ARG . 89.1 mt -57.36 -39.14 75.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.12 -178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -65.06 -34.53 78.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.732 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -88.46 -25.97 22.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.115 0.483 . . . . 0.0 111.0 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.25 -25.87 58.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -68.46 -24.6 64.73 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.409 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 m -83.48 -17.41 42.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.129 -172.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -121.83 165.22 16.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.17 0.509 . . . . 0.0 111.682 -178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -114.9 121.38 35.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.378 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.3 174.08 12.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.68 108.25 14.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.838 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.99 -25.45 63.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.752 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 p -64.21 -35.85 82.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.3 t -86.99 -24.6 24.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.29 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.73 -43.9 71.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.624 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 49.6 tt0 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.806 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 91' ' ' GLU . 25.0 t-80 71.71 97.07 0.07 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.485 0.659 . . . . 0.0 111.184 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -104.52 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.36 90.66 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.478 . . . . 0.0 111.597 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.01 151.96 9.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.294 -0.867 . . . . 0.0 108.874 173.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.39 136.66 47.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.918 0.389 . . . . 0.0 110.006 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.045 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 44' ' ' ILE . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 44' ' ' ILE . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.47 HD21 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HB ' HD21 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.447 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.569 ' HA ' HG22 ' A' ' 15' ' ' VAL . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.731 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.544 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.634 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 ' HG ' HD12 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.685 HD12 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.017 0.437 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' SER . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HE2' HD11 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD23 HG23 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CG ' HD13 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 37' ' ' ARG . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' HD22 ' A' ' 26' ' ' LEU . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 41' ' ' LYS . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.618 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.458 HD12 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 11' ' ' LYS . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HA ' HG22 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.671 0.272 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.565 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB1' ' A' ' 24' ' ' ALA . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.539 ' HA ' HG22 ' A' ' 15' ' ' VAL . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.561 0.22 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 14' ' ' ALA . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 66' ' ' GLU . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 44' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.472 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 44' ' ' ILE . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.526 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.946 0.403 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.704 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 121.073 0.463 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.577 0.227 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' HD12 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HD13 ' A' ' 44' ' ' ILE . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.716 0.293 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.716 HD23 HG23 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.716 HG23 HD23 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.522 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 37' ' ' ARG . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.144 0.497 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.655 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.655 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 35' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.591 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.888 0.375 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.513 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.683 ' HE2' HD11 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.683 HD11 ' HE2' ' A' ' 41' ' ' LYS . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' GLU . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.568 0.223 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.61 151.78 58.74 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.823 2.349 . . . . 0.0 111.487 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -88.67 123.71 33.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.89 0.376 . . . . 0.0 111.531 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.5 84.47 4.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 172.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -76.2 149.94 37.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.023 0.916 . . . . 0.0 113.184 -173.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -149.31 115.82 5.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.703 -1.589 . . . . 0.0 108.945 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m -71.38 159.66 34.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 44' ' ' ILE . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.75 48.5 3.52 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 m -69.17 -37.59 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.571 0.224 . . . . 0.0 111.348 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -68.62 113.74 6.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.037 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -178.17 -171.68 0.28 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.799 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -86.51 42.16 0.99 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.09 -44.16 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.985 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.739 ' HG3' ' H ' ' A' ' 55' ' ' GLY . 6.4 tp-100 -175.3 -165.2 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.739 ' H ' ' HG3' ' A' ' 54' ' ' GLN . . . -71.85 -92.06 0.09 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.925 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.65 98.92 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.951 0.405 . . . . 0.0 111.62 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -129.97 120.6 19.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.185 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.2 85.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.749 2.3 . . . . 0.0 112.1 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -89.99 -25.36 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.833 -175.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -31.08 70.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.568 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.4 1.2 56.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.301 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG2' HD13 ' A' ' 77' ' ' LEU . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.7 -33.89 71.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.839 ' HG3' ' HG2' ' A' ' 74' ' ' GLU . 40.7 tptt -88.25 -75.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.839 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 11.2 mm-40 -112.62 118.52 35.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.92 -18.95 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.533 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.23 63.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.035 0.445 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 70' ' ' GLN . 97.2 mt -67.35 -24.53 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.836 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.47 -29.71 68.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -76.85 -14.53 59.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.965 0.412 . . . . 0.0 111.387 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.85 48.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -70.11 -20.83 63.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.194 0.521 . . . . 0.0 110.748 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -71.33 -13.36 61.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.663 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -74.55 146.8 42.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.51 136.46 96.17 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.91 173.87 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.364 2.042 . . . . 0.0 112.211 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.61 92.6 4.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.4 pt-20 -76.91 -22.99 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.934 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -59.95 -24.05 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 93' ' ' HIS . 75.9 m -60.69 -24.42 65.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -75.9 -17.9 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.173 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -82.14 -52.82 6.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -85.67 18.45 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.108 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.631 ' HB2' ' O ' ' A' ' 89' ' ' CYS . 6.8 t-160 -90.82 91.15 8.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.978 0.418 . . . . 0.0 110.685 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -114.99 154.46 28.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -56.74 113.99 1.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 111.33 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -161.7 123.35 2.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.981 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.426 177.517 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.09 148.28 39.51 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.477 2.118 . . . . 0.0 112.073 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -93.41 108.68 20.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.185 0.517 . . . . 0.0 110.84 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -145.7 110.36 5.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.131 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.77 157.6 19.57 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -142.56 129.07 20.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -69.14 144.03 53.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 44' ' ' ILE . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.47 HD21 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HB ' HD21 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.447 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.569 ' HA ' HG22 ' A' ' 15' ' ' VAL . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.6 -3.78 68.1 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 -23.11 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 74.66 -65.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.922 0.763 . . . . 0.0 111.852 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.5 106.75 5.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.809 0.338 . . . . 0.0 110.228 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -177.07 109.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.444 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 54' ' ' GLN . 3.9 p -81.63 -65.16 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' H ' HG13 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -95.75 166.14 11.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 111.781 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.13 112.29 0.29 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p 48.88 93.84 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.867 0.867 . . . . 0.0 112.547 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 m -145.86 99.36 4.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.95 108.14 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.34 2.693 . . . . 0.0 112.066 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -71.11 -29.35 65.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.16 0.505 . . . . 0.0 111.285 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.0 65.98 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.646 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.13 -6.15 48.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.856 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.731 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -83.49 -31.86 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 31.5 mtmm 66.77 174.02 0.25 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.412 0.625 . . . . 0.0 112.308 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -90.95 113.98 26.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.903 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -130.92 177.9 7.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.43 69.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -46.9 -41.38 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.65 0.594 . . . . 0.0 112.303 -176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.02 -50.56 9.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.567 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -80.79 -19.02 45.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -169.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.98 -20.52 48.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.272 0.558 . . . . 0.0 111.109 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.78 -18.64 53.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.606 0.717 . . . . 0.0 110.019 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 m -97.26 -81.66 0.42 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.862 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -71.02 126.21 28.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.045 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.23 153.14 44.54 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.701 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.95 174.87 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.975 2.45 . . . . 0.0 112.603 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.72 25.59 4.02 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.692 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 1.1 mp0 -61.46 -21.7 64.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.136 0.493 . . . . 0.0 111.196 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -67.77 -29.82 69.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.878 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.9 p -68.3 -24.38 64.85 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -71.69 -15.9 62.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.14 -49.2 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 62.11 -172.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -120.86 -13.05 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.077 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.0 m80 52.52 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -79.2 117.56 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -67.66 130.95 44.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.828 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.15 169.27 16.21 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.569 2.18 . . . . 0.0 111.666 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 t -130.93 145.54 52.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.385 0.612 . . . . 0.0 110.788 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 6' ' ' TYR . 1.7 tmtp? -152.97 92.96 1.69 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.307 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.57 156.65 22.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.333 0.587 . . . . 0.0 111.69 -173.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CE2' ' HE2' ' A' ' 4' ' ' LYS . 8.0 m-85 -144.37 150.76 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.868 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -77.43 149.82 35.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.634 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.89 19.41 38.36 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.3 p -88.0 -59.51 2.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' O ' HG23 ' A' ' 53' ' ' VAL . 26.5 t30 63.52 -72.85 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.545 0.528 . . . . 0.0 110.034 -170.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 64.96 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.643 0.777 . . . . 0.0 111.879 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -127.1 12.85 7.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' ASN . 91.4 t -71.86 -51.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.706 0.289 . . . . 0.0 110.302 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 54.89 -167.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.308 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.05 21.38 4.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.661 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -143.87 94.41 2.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.939 0.399 . . . . 0.0 110.136 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -79.43 116.59 61.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.242 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 61' ' ' ALA . 12.2 Cg_exo -71.03 151.65 61.99 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.02 2.48 . . . . 0.0 111.4 176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -61.81 -36.69 81.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.236 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.96 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 111.026 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . . . -93.87 6.38 48.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.361 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm -76.12 -28.72 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 4.2 mppt? 58.02 -104.57 0.22 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -168.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.81 150.21 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 172.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.22 149.67 23.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.676 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.63 69.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.58 -32.73 73.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.483 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.79 -25.34 53.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.34 0.591 . . . . 0.0 109.764 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 79' ' ' ARG . 2.2 tpm_? -69.7 -25.09 63.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.607 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.63 64.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.377 0.608 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -79.71 -11.82 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.602 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -93.42 -82.59 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.098 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -126.57 126.28 43.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.78 -174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.34 102.14 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 O-C-N 124.357 1.036 . . . . 0.0 112.736 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.95 -164.83 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.803 2.335 . . . . 0.0 111.55 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.83 88.58 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.6 t -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.13 0.49 . . . . 0.0 110.708 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.41 -24.63 57.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.243 0.544 . . . . 0.0 109.982 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -74.9 -36.11 62.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.79 -34.51 71.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.893 173.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 64.42 44.6 4.08 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -168.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -53.05 114.06 1.32 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.565 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -86.17 -48.09 8.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -74.67 122.37 23.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.398 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -145.51 147.56 32.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.487 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.243 0.722 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.256 176.85 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.6 ttt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.93 143.13 44.41 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.608 2.205 . . . . 0.0 111.951 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -153.86 169.3 23.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -152.24 110.61 3.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -97.57 -138.64 0.28 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.717 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -52.64 158.34 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.387 0.613 . . . . 0.0 112.113 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -111.15 161.83 15.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.143 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 ' HG ' HD12 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.685 HD12 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 15' ' ' VAL . . . -105.56 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 p -62.1 -36.07 80.61 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 122.614 0.366 . . . . 0.0 111.6 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -94.93 115.18 27.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.302 0.572 . . . . 0.0 110.681 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -156.75 -36.86 0.08 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.795 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -156.27 78.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.412 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -82.47 -54.69 9.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.755 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -126.07 122.35 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.944 0.402 . . . . 0.0 111.419 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.82 27.03 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.1 p 49.81 93.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.663 1.185 . . . . 0.0 111.963 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -83.14 118.79 72.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.1 -35.74 98.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.846 2.364 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.63 -27.45 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.02 40.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.22 47.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.402 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.97 -43.55 44.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -102.27 25.45 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.595 -174.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 3.8 tp10 -63.76 -59.04 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.915 0.388 . . . . 0.0 110.452 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.45 -172.15 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.722 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.11 -11.26 59.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.9 mt -44.11 -53.64 6.25 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -76.16 -38.21 56.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -66.52 -25.35 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -176.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.21 74.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.401 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -81.35 -23.78 37.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -73.09 -16.26 61.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -92.9 144.71 25.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.351 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.82 94.56 36.89 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.459 0.171 . . . . 0.0 110.661 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -81.02 179.63 5.82 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.77 2.313 . . . . 0.0 112.089 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.42 121.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.43 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -78.64 -22.8 46.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 174.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 p -67.93 -33.74 75.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.835 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.3 p -77.05 -25.36 52.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.944 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.84 -51.73 37.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.424 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.96 24.24 0.83 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.458 1.103 . . . . 0.0 113.154 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 64.85 94.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.624 0.77 . . . . 0.0 112.642 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.89 -22.61 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.751 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.532 ' O ' ' HB3' ' A' ' 96' ' ' HIS . 53.0 t-80 -82.51 150.88 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 25.9 t60 74.54 97.48 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.706 0.765 . . . . 0.0 109.905 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.964 -177.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 127.03 13.92 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 111.685 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.3 112.78 10.8 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.875 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -156.85 84.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -153.62 162.38 41.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.679 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -124.92 131.2 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.941 0.4 . . . . 0.0 110.705 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m -150.64 160.0 44.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' SER . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HE2' HD11 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.77 53.58 0.59 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 40.3 t -55.65 -24.02 31.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.0 t-20 77.07 -34.12 0.21 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.013 0.525 . . . . 0.0 110.139 -176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 49' ' ' SER . 29.8 m80 -76.46 93.62 3.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.904 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -82.94 71.61 10.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.805 0.812 . . . . 0.0 110.903 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.91 -42.65 69.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.475 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.78 103.02 9.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.791 170.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.67 -91.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.239 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.1 p 53.24 102.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.232 1.013 . . . . 0.0 113.098 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.3 m -62.62 122.48 74.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.966 174.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.49 127.63 27.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.801 2.334 . . . . 0.0 112.546 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -63.92 -21.05 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.55 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.23 62.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.253 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . -73.92 -5.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.591 ' HB3' ' HG3' ' A' ' 74' ' ' GLU . 30.4 mmtp -64.72 -26.49 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt 67.9 23.75 8.26 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.724 0.64 . . . . 0.0 110.803 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 72' ' ' LYS . 43.9 mt-10 -77.85 115.14 17.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.251 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 p30 -114.15 178.5 4.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.55 -28.33 61.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 111.309 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 73.0 mt -64.09 -25.79 68.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.209 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -56.3 12.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -85.94 -14.98 43.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.241 0.544 . . . . 0.0 110.916 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 77' ' ' LEU . . . -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.331 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.44 -17.95 60.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.79 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 -3.08 57.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.438 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 80' ' ' ALA . 5.1 ppt_? -100.28 151.86 20.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.884 -0.51 . . . . 0.0 110.711 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -95.28 153.78 39.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.158 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.74 174.41 11.09 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.357 2.038 . . . . 0.0 112.637 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' SG ' ' A' ' 89' ' ' CYS . . . -127.79 68.67 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.862 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.28 -36.93 81.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.407 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -68.03 -40.02 82.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.79 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.424 ' SG ' ' HB1' ' A' ' 86' ' ' ALA . 8.1 m -73.54 -25.08 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 110.903 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.4 tp -70.97 -36.27 72.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.077 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.62 -48.81 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.753 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -144.3 131.0 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 111.24 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -130.42 168.9 16.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.448 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -81.57 123.72 28.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.77 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -129.12 125.08 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -86.74 133.12 33.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.184 0.516 . . . . 0.0 111.142 -174.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.938 178.358 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -87.62 45.0 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.384 2.723 . . . . 0.0 111.911 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 p -81.23 107.49 14.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.658 0.742 . . . . 0.0 111.711 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -109.82 94.07 4.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.907 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -119.14 162.16 19.1 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 -175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.43 154.73 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.585 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m -61.53 140.13 58.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.15 0.281 . . . . 0.0 110.278 176.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.97 57.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 m -70.58 -24.47 62.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.524 0.202 . . . . 0.0 111.52 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.31 -57.96 8.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.167 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.2 t60 61.58 25.55 15.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.702 0.763 . . . . 0.0 110.19 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -80.57 82.21 6.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.224 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -71.95 -37.74 62.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -89.76 129.97 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.316 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.67 11.29 5.82 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.676 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 73.08 115.45 0.06 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.77 0.795 . . . . 0.0 111.305 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.1 m -98.07 124.89 45.82 Favored Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.201 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 157.32 59.33 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.634 2.223 . . . . 0.0 112.802 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -65.75 -23.34 66.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.718 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.91 63.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.1 -5.56 59.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -64.15 -16.26 61.52 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -75.16 175.41 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.03 122.77 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.961 0.41 . . . . 0.0 111.061 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -120.04 -171.33 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.281 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB1' ' HG2' ' A' ' 85' ' ' PRO . . . -58.72 -26.74 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.89 -35.27 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -81.26 -27.46 35.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -81.03 -16.31 53.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.02 62.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.348 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -70.0 -25.58 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 111.49 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -105.34 -82.66 0.52 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.591 ' O ' ' HD3' ' A' ' 85' ' ' PRO . 41.1 ttt180 -108.39 140.43 41.7 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -93.32 107.28 24.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD3' ' O ' ' A' ' 83' ' ' ARG . 80.4 Cg_endo -98.33 -171.19 0.13 Allowed 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 123.682 2.922 . . . . 0.0 111.614 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' CYS . . . 48.71 68.25 0.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.673 0.608 . . . . 0.0 111.378 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.63 -26.57 56.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.08 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -86.57 -50.18 7.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.878 0.37 . . . . 0.0 111.148 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 37.0 t -67.37 -32.41 73.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.346 -175.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.57 -36.97 85.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.87 -40.69 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.0 m80 66.67 169.61 0.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.716 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -118.37 113.61 21.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.348 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 32.1 m170 -90.47 168.33 11.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 94' ' ' HIS . 23.3 m-70 74.28 104.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.667 0.604 . . . . 0.0 110.087 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -149.71 147.62 28.27 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.586 176.157 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.92 -29.66 67.24 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.465 2.11 . . . . 0.0 111.238 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -97.31 121.19 38.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.724 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -120.54 17.06 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.256 0.55 . . . . 0.0 110.674 177.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 154.39 42.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.106 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 4.6 p90 -115.05 156.89 24.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.407 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -85.01 159.09 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD23 HG23 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CG ' HD13 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 37' ' ' ARG . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' HD22 ' A' ' 26' ' ' LEU . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' SER . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.79 28.61 14.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 23.1 t -79.62 -36.57 37.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.165 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.8 t30 60.8 -98.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.82 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -154.01 85.14 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.366 . . . . 0.0 110.53 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.21 56.27 0.93 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.387 0.613 . . . . 0.0 109.557 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLN . 6.8 p -75.73 -50.57 22.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.378 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -111.59 103.36 11.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.522 175.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.64 121.39 0.72 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.039 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p 51.24 93.76 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.039 0.936 . . . . 0.0 112.367 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 100.58 37.31 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.397 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.08 -19.36 45.39 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.954 2.436 . . . . 0.0 112.046 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -64.54 -33.8 76.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.614 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -30.31 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 111.116 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 -0.87 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.202 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.618 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -71.67 -30.55 65.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -128.16 105.9 8.68 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.63 113.6 1.02 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.851 0.834 . . . . 0.0 112.479 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.73 -15.43 63.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.021 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.14 60.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.638 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.94 -38.74 92.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 0.0 110.799 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -39.6 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.04 -21.33 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.984 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.99 42.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.738 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -85.19 -27.03 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.786 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -90.39 5.22 48.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.761 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 67.0 140.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.839 0.828 . . . . 0.0 112.776 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.04 111.36 32.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.475 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.44 173.15 14.76 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.355 2.037 . . . . 0.0 113.08 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.38 170.08 10.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.34 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 3.4 mp0 -52.71 -54.7 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.343 0.402 . . . . 0.0 111.503 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -63.49 -34.96 78.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.403 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.4 m -75.42 -30.93 60.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.677 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.91 -38.69 89.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.975 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.42 -47.14 87.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m80 60.2 -175.37 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.614 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 59.89 88.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.124 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -144.6 -70.12 0.29 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 68.43 133.48 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.843 0.714 . . . . 0.0 110.558 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -125.66 167.66 14.81 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.25 1.114 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.888 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.41 -12.86 32.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.961 2.441 . . . . 0.0 113.166 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m 67.38 144.54 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.262 0.625 . . . . 0.0 111.294 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -137.8 100.04 4.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 111.03 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.73 164.16 27.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.714 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 2.2 p90 -148.63 177.57 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m -96.86 134.41 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.458 HD12 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 11' ' ' LYS . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HA ' HG22 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.26 71.58 0.21 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 28.2 m -56.03 -24.5 39.77 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' SER . 24.1 t-20 73.68 -60.03 0.54 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.127 0.571 . . . . 0.0 111.837 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.3 -41.73 39.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.5 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.52 64.27 7.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 109.746 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLN . 7.6 p -81.61 -49.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.891 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 20.5 tp60 61.23 23.57 13.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.972 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.52 -104.9 1.12 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.504 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 p -145.35 101.3 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.805 0.336 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.9 t -55.68 112.5 4.33 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.347 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.49 106.91 0.77 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.785 2.323 . . . . 0.0 112.788 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 t -67.57 -24.01 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.182 0.515 . . . . 0.0 110.461 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -20.6 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.671 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.33 50.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.397 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.86 3.46 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -123.4 111.29 16.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 174.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -59.21 114.16 2.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.018 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.64 -176.27 3.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.137 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.05 84.94 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.523 0.514 . . . . 0.0 112.191 -175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.6 -38.6 89.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.072 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -68.31 -37.05 80.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -82.37 -19.18 39.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.38 -19.74 55.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.58 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.78 -22.24 13.6 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 m -67.17 -19.47 65.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.169 0.509 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -131.92 158.71 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.177 0.513 . . . . 0.0 111.136 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -125.04 101.92 31.69 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.23 173.9 12.3 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.35 2.033 . . . . 0.0 112.84 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.5 87.09 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -31.09 61.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.98 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -62.89 -35.48 80.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.7 t -74.63 -24.12 58.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.16 -50.14 56.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 110.823 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.52 -42.47 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.737 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -94.76 67.59 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -103.82 150.42 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.439 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -133.36 170.93 14.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.211 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -90.1 97.7 11.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 57.55 -97.25 0.07 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.959 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.959 0 C-N-CA 123.653 0.781 . . . . 0.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.35 -27.78 23.21 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.987 2.458 . . . . 0.0 112.512 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -162.42 167.14 24.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.486 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 tptt 66.88 114.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.303 1.002 . . . . 0.0 111.995 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' HB ' ' H ' ' A' ' 6' ' ' TYR . 8.8 p -89.44 -154.62 0.32 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.474 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -46.25 128.86 10.05 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 112.597 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p -100.19 -169.44 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.347 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.565 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB1' ' A' ' 24' ' ' ALA . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.539 ' HA ' HG22 ' A' ' 15' ' ' VAL . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.675 ' HD3' ' HB3' ' A' ' 52' ' ' ASN . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.25 -31.35 74.4 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m -76.81 -55.69 5.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -176.67 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.961 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -164.55 159.1 18.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.33 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.675 ' HB3' ' HD3' ' A' ' 46' ' ' LYS . 1.4 p30 -90.34 75.46 6.87 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.937 0.875 . . . . 0.0 110.638 177.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.19 -21.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.183 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 61.52 79.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.37 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.66 100.97 0.28 Allowed Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.969 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -153.5 110.14 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.79 0.805 . . . . 0.0 109.943 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -125.63 132.19 24.24 Favored Pre-proline 0 C--N 1.298 -1.658 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.997 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.97 74.3 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.826 2.35 . . . . 0.0 113.569 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -74.61 -24.32 58.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.535 0.683 . . . . 0.0 109.734 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.31 63.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.918 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.65 1.62 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.71 -42.06 61.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.906 ' HE2' ' HG3' ' A' ' 78' ' ' GLN . 59.1 mtpt -76.66 93.56 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.0 pt-20 -93.38 154.73 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.517 -168.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 50.4 -153.07 0.16 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.834 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.589 ' HA ' HH21 ' A' ' 79' ' ' ARG . . . -68.03 -28.4 67.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.996 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 74' ' ' GLU . 4.5 pp -62.1 -26.3 68.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.439 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.906 ' HG3' ' HE2' ' A' ' 73' ' ' LYS . 6.1 tt0 -55.35 -49.79 71.32 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.039 0.447 . . . . 0.0 110.539 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.589 HH21 ' HA ' ' A' ' 76' ' ' ALA . 34.8 mtm180 -72.29 -21.67 61.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.878 -177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.6 -38.74 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -77.99 -25.6 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.196 0.522 . . . . 0.0 111.206 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.6 m -76.95 -18.82 58.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.61 0.719 . . . . 0.0 109.894 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -85.92 124.53 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.663 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -96.22 119.25 64.73 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.135 0.493 . . . . 0.0 110.836 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -91.29 -175.6 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.16 0 C-N-CA 122.852 2.368 . . . . 0.0 110.969 171.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 89' ' ' CYS . . . -75.96 110.7 10.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 4.7 tp10 -56.39 -44.15 79.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.581 ' HA ' ' HB2' ' A' ' 91' ' ' GLU . 58.8 m -67.32 -22.9 65.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.779 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 86' ' ' ALA . 51.9 t -64.09 -24.53 67.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.289 0.566 . . . . 0.0 109.97 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.1 tp -95.94 -36.08 11.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.394 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 88' ' ' SER . 50.3 mt-10 -60.11 -33.56 72.29 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -68.06 138.63 55.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.193 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -93.53 -92.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.668 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 t60 63.19 114.83 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.604 0.565 . . . . 0.0 111.14 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -53.13 124.22 13.85 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.057 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 6.0 p80 -80.17 126.14 30.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 96' ' ' HIS . 40.2 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.167 0.917 . . . . 0.0 109.697 -170.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.775 0.321 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.62 -43.01 4.28 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.623 2.215 . . . . 0.0 111.705 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 p -95.59 106.61 18.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.182 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.41 112.91 24.43 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 121.44 0.638 . . . . 0.0 109.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -101.25 157.79 16.52 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.545 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -133.69 106.38 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.086 0.469 . . . . 0.0 110.691 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m -72.59 166.0 23.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 14' ' ' ALA . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.68 35.95 3.87 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -64.4 -24.55 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 111.711 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -99.96 -0.83 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.49 . . . . 0.0 111.168 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -120.12 -176.31 3.17 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.287 -175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.95 100.56 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 O-C-N 124.176 0.923 . . . . 0.0 112.385 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.81 -34.8 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.041 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 58.37 71.04 0.6 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.153 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.17 -127.91 0.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.851 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 68.14 107.78 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.655 0.74 . . . . 0.0 110.041 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.5 m -132.58 111.14 13.66 Favored Pre-proline 0 C--N 1.311 -1.099 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.086 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.77 163.94 37.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.036 2.491 . . . . 0.0 112.283 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -64.52 -26.8 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 111.353 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.51 64.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.017 0.436 . . . . 0.0 110.973 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.56 -5.34 59.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -76.13 -12.44 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 9.7 mtpm? -78.86 54.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.083 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.562 ' OE2' ' HG ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -111.63 -13.88 13.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 178.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 t30 74.17 -29.21 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.37 -20.3 62.86 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.981 0.512 . . . . 0.0 112.313 -175.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' ' OE2' ' A' ' 74' ' ' GLU . 91.3 mt -49.74 -46.31 50.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -73.42 -34.68 65.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -76.71 -13.89 60.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.224 -174.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.458 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -74.3 -24.16 59.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.972 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 m -67.93 -28.28 67.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.805 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 66.2 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.332 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -101.41 153.23 37.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.245 172.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.31 174.08 9.64 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.197 1.931 . . . . 0.0 112.29 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.17 24.99 5.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.528 0.68 . . . . 0.0 110.351 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.07 -22.77 63.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.573 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -70.45 -26.91 63.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.183 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.94 -23.2 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.64 -40.02 78.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.462 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.48 -35.59 73.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.605 0.24 . . . . 0.0 111.345 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -115.15 93.7 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.747 0.308 . . . . 0.0 111.003 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -67.49 127.32 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -75.36 128.84 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 111.628 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.73 100.12 6.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.89 174.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -61.33 164.17 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.318 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.85 171.498 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.83 -38.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.227 2.618 . . . . 0.0 112.558 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -92.92 118.57 31.28 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.423 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 65.0 88.51 0.1 Allowed 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.858 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -119.52 158.1 26.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 3.6 p90 -135.67 170.53 15.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -111.47 145.98 38.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.412 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 52' ' ' ASN . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.91 -29.86 62.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 18.3 m -78.77 -59.27 2.85 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 49' ' ' SER . 59.2 t30 163.32 -69.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.845 0.716 . . . . 0.0 109.835 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 118.29 7.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.882 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 23.2 t-20 -158.73 102.48 1.69 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 t -67.13 -68.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.779 -173.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 66.2 mt-30 -157.9 119.1 3.53 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.52 0.513 . . . . 0.0 109.841 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.29 149.24 19.72 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.949 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -156.1 108.01 2.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -139.01 120.97 10.18 Favored Pre-proline 0 C--N 1.303 -1.426 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.166 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.782 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 60.7 Cg_endo -98.93 103.93 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.506 2.804 . . . . 0.0 112.889 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -80.8 -49.17 11.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.749 0.309 . . . . 0.0 111.277 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.1 50.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.398 . . . . 0.0 111.535 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 58' ' ' PRO . . . -75.1 -4.66 39.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.836 -177.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.16 -57.01 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -128.77 130.13 46.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.37 123.84 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.795 0.807 . . . . 0.0 112.108 -173.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -60.27 -26.64 66.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.921 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.07 -26.51 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.108 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.27 -28.41 64.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.649 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -81.75 -24.76 35.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.382 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -69.94 -13.17 62.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 -20.03 65.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 81' ' ' ARG . 59.5 mtt-85 -69.82 -15.72 63.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.199 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -55.59 -35.54 65.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 59.63 109.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.355 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -120.86 100.72 46.03 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.517 -175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -87.82 -170.5 0.57 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.594 2.196 . . . . 0.0 111.763 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.6 148.05 48.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.69 -31.43 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.436 0.46 . . . . 0.0 110.965 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.6 m -61.15 -40.62 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.8 -23.98 48.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.891 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.38 -39.98 85.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.787 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -41.56 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.559 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -76.91 105.91 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.359 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -123.69 97.09 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -61.43 125.88 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.829 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -148.75 145.56 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -146.32 119.12 8.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.795 178.762 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.72 -63.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 111.855 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -174.01 -177.02 1.26 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.953 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -131.24 89.44 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -95.23 152.82 18.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.731 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -133.61 103.62 5.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.771 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m -102.9 -179.09 3.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 44' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.472 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.58 -24.51 76.18 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 10.4 t -82.92 -21.8 34.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.5 t30 77.35 -75.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.969 0.793 . . . . 0.0 110.853 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -147.23 163.18 37.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 52.73 53.75 11.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.905 0.859 . . . . 0.0 108.99 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.87 -65.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.568 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -109.92 56.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.676 174.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.77 76.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.835 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 p 50.23 93.99 0.01 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.056 0.943 . . . . 0.0 112.678 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -120.78 88.43 43.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.25 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB2' HG23 ' A' ' 62' ' ' VAL . 4.4 Cg_exo -76.1 111.02 3.19 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.886 2.391 . . . . 0.0 112.104 -175.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 p -85.73 -51.48 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.968 0.413 . . . . 0.0 110.879 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.75 -30.94 16.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.612 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 58' ' ' PRO . . . -73.71 -5.37 40.2 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -170.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 58' ' ' PRO . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.07 -4.85 59.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 50.6 tttm 58.06 -95.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.478 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HG2' ' HG2' ' A' ' 73' ' ' LYS . 12.6 pt-20 -169.65 174.58 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.53 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -134.46 -3.14 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.547 172.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.1 79.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.788 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.2 pp -54.91 -26.01 33.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.264 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 77' ' ' LEU . 27.2 mm-40 -75.61 -49.86 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.055 0.455 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -74.43 -14.86 60.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.866 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.808 ' HA ' ' HD3' ' A' ' 83' ' ' ARG . . . -61.66 -24.56 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.097 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.679 ' HE ' ' HA ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -85.54 -24.29 27.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -85.19 -19.53 31.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.279 0.561 . . . . 0.0 110.769 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.808 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 26.6 mtp85 -64.97 117.86 8.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 111.054 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.63 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 31.9 m80 -147.31 177.54 1.74 Allowed Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.356 -177.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 84' ' ' HIS . 75.4 Cg_exo -52.09 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.563 2.175 . . . . 0.0 113.122 175.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.41 176.5 5.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.646 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -26.51 44.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.936 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 p -56.37 -33.8 66.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.603 -173.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.42 -23.61 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 111.327 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.7 -43.95 13.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.53 -43.86 98.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.886 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -82.62 136.07 34.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.917 -171.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 74.05 7.35 4.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.692 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -81.83 62.94 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -101.57 107.7 19.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.698 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -93.79 126.82 39.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.359 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.338 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.932 0.396 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.99 -39.21 2.38 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.856 2.371 . . . . 0.0 111.876 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -154.7 170.82 20.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.747 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -136.34 95.11 3.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 154.24 22.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.221 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 t80 -158.38 120.39 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -58.3 136.79 57.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 -172.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 44' ' ' ILE . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.526 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' ASN . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.86 29.68 9.54 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -72.66 -50.25 26.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.519 0.676 . . . . 0.0 109.736 174.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -145.59 -50.71 0.24 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.05 -0.977 . . . . 0.0 108.578 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -167.0 -26.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.758 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 t30 63.0 96.24 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.48 -40.28 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.836 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -84.37 96.66 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.778 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.28 67.24 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.016 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 73.57 110.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.418 0.687 . . . . 0.0 111.031 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 m -153.6 105.37 2.53 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.555 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.61 94.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.977 2.452 . . . . 0.0 111.386 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -89.91 -51.64 5.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.045 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.17 -20.52 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.4 -5.04 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.939 -175.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' HB2' ' A' ' 74' ' ' GLU . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? -71.23 -21.86 62.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.68 91.49 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.995 0.518 . . . . 0.0 111.978 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 38.7 mt-10 -136.93 113.13 9.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -173.63 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.238 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.93 -22.59 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.664 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.62 -52.71 64.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.173 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.94 -30.8 31.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -68.27 -21.39 64.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 0.0 110.668 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.76 61.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.803 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -72.78 -10.46 59.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.946 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -87.2 5.08 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.172 0.511 . . . . 0.0 110.915 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -89.43 152.92 21.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -113.43 160.2 32.43 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -56.81 173.13 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.758 2.306 . . . . 0.0 113.497 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.43 24.23 7.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.1 pt-20 -61.32 -44.77 96.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 m -72.84 -23.59 60.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 0.0 110.883 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.74 -36.17 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -74.4 -20.03 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.49 -30.61 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.784 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -83.38 79.11 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.237 0.541 . . . . 0.0 111.55 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -148.61 149.49 31.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.063 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 m170 65.06 -168.86 0.21 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.424 0.452 . . . . 0.0 110.923 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -124.52 142.62 51.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -94.12 132.27 38.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 110.815 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.174 175.384 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -10.85 16.28 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.505 2.136 . . . . 0.0 111.962 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.59 130.45 43.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -145.04 86.8 1.79 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -108.93 159.9 16.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.86 -169.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HD1' ' HE2' ' A' ' 11' ' ' LYS . 2.8 p90 -138.81 114.8 10.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.46 175.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p -71.09 155.91 40.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HE2' ' HD1' ' A' ' 6' ' ' TYR . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.704 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.63 62.45 3.39 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -48.26 -39.48 21.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.519 0.728 . . . . 0.0 112.177 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 72.34 -49.69 0.69 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.834 0.708 . . . . 0.0 112.466 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -74.78 133.52 41.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.635 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -140.35 109.72 6.23 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.8 m -50.71 -26.82 4.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 61.49 82.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.464 0.65 . . . . 0.0 110.314 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.34 -109.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.501 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p 46.74 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.445 0.698 . . . . 0.0 111.971 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.493 HG23 ' HB3' ' A' ' 60' ' ' ALA . 1.8 t -138.15 109.54 8.3 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 121.156 0.503 . . . . 0.0 111.162 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 57' ' ' THR . 36.6 Cg_endo -65.81 -28.89 50.9 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.807 2.338 . . . . 0.0 111.845 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -65.59 -37.1 85.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.947 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB3' HG23 ' A' ' 57' ' ' THR . . . -79.63 -20.19 47.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.0 110.783 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -81.52 -30.58 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 102.32 9.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 66.37 114.0 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.259 0.974 . . . . 0.0 110.744 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.75 176.52 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.222 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -27.26 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.89 -26.46 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 111.503 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -79.83 -50.74 10.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.693 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 79' ' ' ARG . 10.3 tpt85 -82.16 -14.07 56.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.58 -172.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.4 -18.68 18.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.452 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.01 -26.18 24.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.7 m -76.77 -34.72 58.01 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -123.63 -171.25 2.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.091 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -144.9 109.42 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.912 0.387 . . . . 0.0 110.944 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.64 176.28 9.7 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.449 2.099 . . . . 0.0 112.212 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 89' ' ' CYS . . . -139.43 35.14 2.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.1 pt-20 -52.9 -47.67 67.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.294 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 m -80.78 -25.58 37.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.528 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 37.4 t -71.93 -34.18 68.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -70.16 -30.32 67.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.56 -43.49 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.591 0.234 . . . . 0.0 111.169 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 67.92 -174.43 0.19 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -166.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 2.5 t-160 -104.45 -23.42 13.17 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.043 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 50.8 m-70 72.61 139.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.388 176.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -152.62 145.85 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.394 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -149.87 162.66 39.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 110.472 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 167.698 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.678 0.275 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.83 164.23 6.11 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -132.93 150.87 52.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.125 0.488 . . . . 0.0 110.189 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 102.41 0.26 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.874 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.71 154.91 49.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.96 0.41 . . . . 0.0 110.916 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' HB3' ' HE3' ' A' ' 11' ' ' LYS . 42.9 m-85 -138.99 107.6 5.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.759 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p -78.86 162.34 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' HD12 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.47 -40.54 68.03 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 m -87.7 -24.08 23.97 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.614 -0.344 . . . . 0.0 111.397 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 68.49 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.62 0.768 . . . . 0.0 110.183 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -143.53 3.71 1.32 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.552 0.691 . . . . 0.0 109.278 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -90.72 74.07 6.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.988 -172.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.92 -52.29 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 171.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.44 23.11 6.4 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.53 88.19 1.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.517 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -144.02 104.22 4.11 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.504 0.669 . . . . 0.0 109.259 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -75.38 156.26 85.47 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.639 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 8.0 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.103 2.535 . . . . 0.0 113.129 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -66.78 -20.83 66.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.16 0.505 . . . . 0.0 110.454 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.16 -19.41 51.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.63 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.55 45.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.917 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -81.4 3.63 23.77 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -119.33 -28.12 5.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.035 0.445 . . . . 0.0 110.926 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.79 155.83 37.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.179 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 9.6 p30 -135.21 164.48 27.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.634 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.34 -26.67 63.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.306 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 95.7 mt -63.08 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.446 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -81.12 -29.29 34.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.013 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' ARG . 23.4 mmt180 -74.06 -13.63 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -20.26 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.699 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -85.84 -25.09 26.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.812 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.5 m -72.27 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 0.0 110.558 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.546 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -102.46 114.0 27.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -117.93 93.82 45.03 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.323 -172.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -92.31 -172.12 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.928 2.419 . . . . 0.0 112.151 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 89' ' ' CYS . . . -111.58 127.8 55.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.964 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.84 -59.2 4.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.71 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -75.76 -23.51 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.721 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 97.5 m -65.5 -23.26 66.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.3 -36.82 85.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.583 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -81.32 -53.53 6.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.708 0.766 . . . . 0.0 109.818 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -100.85 68.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.186 -174.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.34 120.36 12.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -74.84 157.18 35.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.541 -169.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -116.01 123.77 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -106.5 116.75 32.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.489 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.92 -23.86 40.47 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.386 2.057 . . . . 0.0 111.473 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -104.19 113.21 26.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.703 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -132.65 85.5 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 155.99 26.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.621 -173.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.03 166.37 20.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.739 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m -118.92 141.51 48.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HD13 ' A' ' 44' ' ' ILE . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.41 82.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.3 m -77.42 -24.1 50.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.03 114.91 14.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.349 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 59.44 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -75.03 78.83 2.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.161 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' HB ' ' OE1' ' A' ' 54' ' ' GLN . 25.2 t -58.98 -40.44 80.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.64 82.5 3.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.335 174.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.35 -89.03 0.95 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.571 ' O ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 p 49.02 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.845 0.858 . . . . 0.0 111.801 -176.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -84.32 111.49 34.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.981 -174.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 89.7 Cg_endo -96.9 -172.57 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.327 2.685 . . . . 0.0 111.524 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -67.09 -25.7 66.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.221 0.534 . . . . 0.0 110.74 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.81 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.632 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . . . -77.73 -5.09 49.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.703 -175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.52 4.32 18.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.4 pttp -89.96 -177.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.99 -172.45 0.17 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.947 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -123.91 130.09 52.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.051 0.929 . . . . 0.0 112.407 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.41 -13.81 51.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.424 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -51.69 -42.22 62.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.494 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.74 -36.6 76.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.061 0.458 . . . . 0.0 111.094 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -88.95 -24.7 22.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 110.705 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.22 65.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.049 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -65.13 -18.64 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.816 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -70.78 -16.23 62.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.699 0.761 . . . . 0.0 110.38 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -112.91 -170.83 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 4.5 p-80 -149.84 138.04 12.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.379 173.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 84' ' ' HIS . 2.9 Cg_endo -86.02 -156.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.213 2.609 . . . . 0.0 111.681 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 63.03 94.75 0.05 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.731 0.644 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.7 pt-20 -57.0 -22.72 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.536 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -51.65 -24.2 5.31 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.215 0.606 . . . . 0.0 112.08 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.1 p -63.69 -23.43 67.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -63.43 -19.04 64.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.74 0.305 . . . . 0.0 111.159 -177.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.09 -39.8 83.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.438 0.637 . . . . 0.0 109.4 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -109.4 61.44 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.0 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 5.7 p-80 -59.37 154.95 15.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 19.0 m-70 79.24 -178.43 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.227 0.955 . . . . 0.0 109.236 -166.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -56.33 136.0 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.753 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.906 0.754 . . . . 0.0 110.803 -177.598 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.97 -29.88 57.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.786 2.324 . . . . 0.0 113.106 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.6 t -104.21 172.47 6.78 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 14.5 tmtt? 56.75 77.89 0.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.016 0.912 . . . . 0.0 109.515 -173.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -87.33 174.79 8.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.788 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -136.21 178.92 6.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.201 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m -146.99 152.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.113 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.716 HD23 HG23 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.716 HG23 HD23 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.522 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 37' ' ' ARG . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.82 -11.01 68.83 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -78.54 -24.15 45.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.705 0.288 . . . . 0.0 110.526 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.79 123.89 19.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.564 0.697 . . . . 0.0 110.704 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -69.64 -37.2 76.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.776 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -172.25 122.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.0 m -53.59 -41.16 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.992 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 53.11 94.48 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.78 -135.63 4.56 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.79 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -146.97 101.58 3.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 24.5 p -68.81 144.64 96.15 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.077 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 27.3 Cg_exo -62.45 110.92 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.108 2.539 . . . . 0.0 113.207 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 p -75.13 -19.42 59.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.737 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -20.1 58.57 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.121 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.21 -5.76 43.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt -77.45 -19.56 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 61.27 87.76 0.09 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.495 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.37 113.8 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.54 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -113.37 158.54 20.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.959 -175.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.74 59.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.727 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 84.7 mt -62.36 -50.42 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.7 -27.79 69.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.663 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 79' ' ' ARG . 6.3 tpp180 -81.67 -27.91 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 110.632 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.86 -20.17 42.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.53 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 77' ' ' LEU . 29.7 mtp180 -68.09 -12.02 60.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -176.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 m -56.6 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.57 0.544 . . . . 0.0 111.65 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -124.26 150.17 45.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.892 0.377 . . . . 0.0 110.128 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -127.25 153.43 76.94 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.839 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.49 174.7 6.96 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.98 1.787 . . . . 0.0 111.435 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.95 114.72 29.07 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.73 0.3 . . . . 0.0 110.964 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 2.0 mp0 -70.82 -22.85 62.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.427 0.632 . . . . 0.0 109.725 174.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 -23.56 12.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.556 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.36 -23.9 64.65 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.7 pp -72.06 -17.03 62.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -52.92 62.48 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.6 t60 69.51 129.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.162 0.914 . . . . 0.0 111.572 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.68 131.22 46.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.222 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.1 153.19 40.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -114.23 138.49 50.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 5.3 t-80 -112.33 138.59 48.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 40.4 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.284 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.582 0.23 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -85.09 -10.37 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.736 2.291 . . . . 0.0 112.126 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 133.55 42.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.101 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -135.93 119.66 17.22 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.059 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -114.65 154.17 28.88 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.15 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.8 120.32 40.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -62.96 157.22 22.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.165 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.23 59.07 4.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -67.28 -23.61 65.69 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.763 0.425 . . . . 0.0 111.287 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -66.91 121.79 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.211 0.529 . . . . 0.0 110.119 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -77.54 -32.74 54.11 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.036 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.09 86.18 2.27 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.467 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 56' ' ' THR . 62.1 t -63.66 -53.46 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 60.8 -142.75 0.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.122 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.55 56.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.318 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER 44.99 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -176.269 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 13.5 p -89.98 111.02 44.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.115 0.484 . . . . 0.0 110.976 177.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 2.5 Cg_endo -82.45 125.88 4.59 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.071 2.514 . . . . 0.0 111.828 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -60.13 -23.23 63.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.051 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.72 29.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.922 0.392 . . . . 0.0 111.219 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.49 11.21 17.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 39.2 tttm -67.11 -33.28 75.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 75.2 mmtt 74.56 125.85 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.073 0.858 . . . . 0.0 110.681 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.78 -14.46 20.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.642 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.603 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.1 t-20 -88.61 172.01 9.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.835 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.42 -13.12 61.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 75' ' ' ASN . 2.6 pt? -57.51 -26.04 60.72 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -57.18 -27.96 62.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 111.53 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -72.05 -14.6 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.187 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.34 65.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -73.08 -25.33 60.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.188 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -58.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.388 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.01 127.31 18.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.969 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -117.53 158.86 44.07 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.816 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -75.25 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.908 2.405 . . . . 0.0 112.12 175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.16 172.66 7.68 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.155 0.502 . . . . 0.0 111.482 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -71.87 -24.22 61.64 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.297 -174.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -64.87 -26.58 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.839 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.0 -33.98 76.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.137 0.494 . . . . 0.0 110.429 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -78.01 -22.27 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.496 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.36 -33.65 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.546 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -65.11 107.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 111.612 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -117.41 133.91 55.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.756 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -66.47 133.18 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.216 0.532 . . . . 0.0 111.842 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -91.33 -2.69 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.256 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 17.5 t-80 59.21 71.9 0.56 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 96' ' ' HIS . 82.6 t60 . . . . . 0 C--O 1.244 0.811 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.022 -164.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.5 -54.97 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.381 2.054 . . . . 0.0 111.043 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -142.02 151.93 42.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.354 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -80.32 103.62 10.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 151.68 19.2 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.871 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.608 ' HE1' ' HE3' ' A' ' 11' ' ' LYS . 39.1 p90 -154.94 163.41 40.35 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.141 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -116.46 163.02 16.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HE3' ' HE1' ' A' ' 6' ' ' TYR . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.655 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.655 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 35' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.591 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.58 -11.72 69.05 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -79.8 -25.17 40.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 t30 64.12 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.636 0.585 . . . . 0.0 111.152 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -151.28 89.63 1.52 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.26 35.75 3.31 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.865 0.841 . . . . 0.0 109.062 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.84 -29.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.144 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -119.58 145.82 46.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.424 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 83.23 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.226 173.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m 44.52 96.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.339 1.056 . . . . 0.0 113.647 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 58.0 m -106.87 110.56 63.7 Favored Pre-proline 0 C--N 1.309 -1.161 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.262 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 16.9 Cg_exo -67.26 -21.12 48.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.067 2.511 . . . . 0.0 112.495 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -64.39 -25.22 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.51 -21.07 45.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.103 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.53 -5.2 44.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.513 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp -71.64 -50.52 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -84.96 89.78 7.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.227 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.54 -72.9 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.303 0.573 . . . . 0.0 110.487 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 5.4 p30 -136.3 167.26 21.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.83 -173.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.78 -24.22 63.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.51 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 89.9 mt -61.6 -32.63 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -62.52 -36.4 82.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.282 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 4.8 mmm180 -86.2 -14.6 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.99 -20.87 60.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.101 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -74.96 -25.14 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.374 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -69.91 -23.81 63.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.043 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -86.1 146.72 26.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.804 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.07 81.41 28.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -93.21 -174.79 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 123.14 2.56 . . . . 0.0 111.872 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -143.44 141.19 30.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.395 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.06 -22.93 55.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -60.07 -26.62 66.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.809 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 86' ' ' ALA . 68.3 m -70.77 -24.2 62.55 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.62 -42.94 77.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.078 0.466 . . . . 0.0 109.905 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 93' ' ' HIS . 41.0 tt0 -80.12 -47.1 15.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.166 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 61.75 31.42 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.153 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 4.7 m80 -120.62 -169.51 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -129.92 48.14 2.42 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -58.02 -77.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.095 -176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 60.38 175.77 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.467 0.479 . . . . 0.0 110.862 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.378 174.074 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.706 0.288 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.48 18.19 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.762 2.974 . . . . 0.0 113.597 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p 54.19 103.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.375 1.07 . . . . 0.0 112.337 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -100.51 -3.04 31.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.252 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -60.5 124.65 21.0 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.166 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -101.68 139.39 37.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.312 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -69.13 156.07 39.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 59' ' ' SER . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.683 ' HE2' HD11 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.18 48.06 0.85 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.732 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 30.8 p -89.78 -57.74 2.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.114 0.483 . . . . 0.0 111.92 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.39 -22.83 17.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -170.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.99 115.06 15.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.54 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -83.36 72.75 10.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.68 -27.59 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -75.68 119.52 19.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.721 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.61 -136.96 1.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.799 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.8 p -142.1 93.38 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.752 0.787 . . . . 0.0 111.741 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 p -140.44 82.84 15.8 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.332 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -69.81 113.84 3.51 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.741 2.294 . . . . 0.0 113.318 -172.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.429 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 2.9 m -77.04 -33.1 57.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.686 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.81 -20.32 61.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.459 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.02 -2.3 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.361 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.648 ' HA ' HD22 ' A' ' 75' ' ' ASN . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.23 -18.51 60.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 71.88 129.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.634 0.584 . . . . 0.0 111.407 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 65.13 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.988 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.648 HD22 ' HA ' ' A' ' 69' ' ' ARG . 7.6 t-20 59.14 -157.8 0.32 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.3 -16.54 62.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD11 ' HD3' ' A' ' 69' ' ' ARG . 89.1 mt -57.36 -39.14 75.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.12 -178.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -65.06 -34.53 78.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.732 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -88.46 -25.97 22.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.115 0.483 . . . . 0.0 111.0 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.25 -25.87 58.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -68.46 -24.6 64.73 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.409 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 m -83.48 -17.41 42.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.129 -172.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -121.83 165.22 16.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.17 0.509 . . . . 0.0 111.682 -178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -114.9 121.38 35.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.378 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.3 174.08 12.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.68 108.25 14.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.838 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.99 -25.45 63.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.752 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 p -64.21 -35.85 82.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.3 t -86.99 -24.6 24.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.29 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.73 -43.9 71.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.624 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 49.6 tt0 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.806 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 91' ' ' GLU . 25.0 t-80 71.71 97.07 0.07 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.485 0.659 . . . . 0.0 111.184 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -104.52 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.36 90.66 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.478 . . . . 0.0 111.597 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.01 151.96 9.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.294 -0.867 . . . . 0.0 108.874 173.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.39 136.66 47.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.918 0.389 . . . . 0.0 110.006 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.045 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 44' ' ' ILE . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 44' ' ' ILE . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.47 HD21 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HB ' HD21 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.447 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.569 ' HA ' HG22 ' A' ' 15' ' ' VAL . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.731 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.544 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.634 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 ' HG ' HD12 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.685 HD12 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 15' ' ' VAL . . . . . . . . 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.017 0.437 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' SER . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HE2' HD11 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD23 HG23 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CG ' HD13 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 37' ' ' ARG . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' HD22 ' A' ' 26' ' ' LEU . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 41' ' ' LYS . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.618 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.458 HD12 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 11' ' ' LYS . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HA ' HG22 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.671 0.272 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.565 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB1' ' A' ' 24' ' ' ALA . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.2 t-20 -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.539 ' HA ' HG22 ' A' ' 15' ' ' VAL . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 1.9 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.561 0.22 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 14' ' ' ALA . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 66' ' ' GLU . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.148 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.237 0.397 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 44' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.472 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 44' ' ' ILE . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.526 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.946 0.403 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.704 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 121.073 0.463 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.577 0.227 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' HD12 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HD13 ' A' ' 44' ' ' ILE . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.716 0.293 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.716 HD23 HG23 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.716 HG23 HD23 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.522 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 37' ' ' ARG . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt . . . . . 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.144 0.497 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.655 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.655 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 35' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.591 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.888 0.375 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.513 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.707 0.289 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.683 ' HE2' HD11 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.683 HD11 ' HE2' ' A' ' 41' ' ' LYS . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' GLU . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.568 0.223 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.61 151.78 58.74 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.823 2.349 . . . . 0.0 111.487 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 p -88.67 123.71 33.39 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.89 0.376 . . . . 0.0 111.531 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.5 84.47 4.63 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 172.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -76.2 149.94 37.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.023 0.916 . . . . 0.0 113.184 -173.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -149.31 115.82 5.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 113.703 -1.589 . . . . 0.0 108.945 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.7 m -71.38 159.66 34.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.008 0.432 . . . . 0.0 111.317 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.4 mp0 -60.1 -26.73 66.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.843 177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE1' ' HD3' ' A' ' 12' ' ' ARG . 5.9 tp10 -52.62 -39.11 61.35 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.974 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.593 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -60.77 -44.1 97.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 109.664 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HD3' ' OE1' ' A' ' 9' ' ' GLU . 58.3 ttt180 -58.2 -50.31 74.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.136 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.93 -36.38 83.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.831 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.4 -45.57 93.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.012 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 44' ' ' ILE . 57.1 t -70.64 -35.61 61.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.574 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.4 -33.47 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 111.049 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -67.53 -33.49 75.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.808 176.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -66.77 -24.12 66.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.55 -24.2 67.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.21 0.529 . . . . 0.0 109.859 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -101.42 22.94 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.53 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 p -63.79 -17.18 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.928 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -49.23 -40.39 33.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.311 0.577 . . . . 0.0 110.585 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.34 16.6 9.84 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.374 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.39 114.72 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 29' ' ' ILE . 34.7 t -70.47 155.76 40.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.558 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.3 tm? -54.79 -43.33 72.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.916 178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 55.8 tp60 -66.82 -46.18 75.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.612 176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -45.93 68.99 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.526 0.516 . . . . 0.0 110.819 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 17' ' ' LEU . 67.3 mt -58.1 -56.99 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.306 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -37.35 87.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.03 0.443 . . . . 0.0 110.983 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.06 -36.25 81.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.935 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.7 -40.83 72.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -74.66 -39.52 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.66 15.09 17.92 Favored Glycine 0 C--N 1.324 -0.108 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.985 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.3 pt -105.52 173.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.677 0.275 . . . . 0.0 110.883 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -78.39 143.4 36.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.537 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 39.7 ptt180 -71.37 -28.63 64.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.486 -177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.85 -44.47 51.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.1 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 m -61.36 -37.36 83.07 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.097 0.475 . . . . 0.0 110.24 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 48.3 tp -62.61 -49.21 76.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.15 173.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -55.89 -39.14 71.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.703 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.14 -53.53 55.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.652 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -63.51 -37.06 85.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 111.103 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 40' ' ' LEU . 92.3 mt -57.14 -46.78 84.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.19 -34.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 110.557 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.25 -39.21 86.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.275 -175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -101.49 -37.56 8.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.352 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.75 48.5 3.52 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.563 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 m -69.17 -37.59 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.571 0.224 . . . . 0.0 111.348 -177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -68.62 113.74 6.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.037 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -178.17 -171.68 0.28 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.799 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -86.51 42.16 0.99 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -82.09 -44.16 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.985 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.739 ' HG3' ' H ' ' A' ' 55' ' ' GLY . 6.4 tp-100 -175.3 -165.2 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -175.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.739 ' H ' ' HG3' ' A' ' 54' ' ' GLN . . . -71.85 -92.06 0.09 OUTLIER Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.925 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.65 98.92 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.951 0.405 . . . . 0.0 111.62 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -129.97 120.6 19.42 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.185 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -66.2 85.32 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.749 2.3 . . . . 0.0 112.1 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -89.99 -25.36 20.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.833 -175.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -31.08 70.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.568 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.4 1.2 56.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.301 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -80.94 -55.63 7.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.454 0.645 . . . . 0.0 110.793 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.5 m -79.29 -19.01 51.51 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.549 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.57 -16.89 61.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.887 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 69' ' ' ARG . . . -49.69 -32.62 13.73 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.114 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 69' ' ' ARG . 9.7 tp10 -58.43 -45.12 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -76.15 -36.16 58.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.335 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.42 -54.1 37.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.035 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 66' ' ' GLU . 18.8 ptt180 -64.65 -28.07 69.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG2' HD13 ' A' ' 77' ' ' LEU . 1.3 tm0? -70.1 -51.75 29.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.097 0.475 . . . . 0.0 110.326 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.56 -30.84 57.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.554 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.7 -33.89 71.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.648 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.839 ' HG3' ' HG2' ' A' ' 74' ' ' GLU . 40.7 tptt -88.25 -75.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.839 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 11.2 mm-40 -112.62 118.52 35.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -169.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.92 -18.95 61.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.533 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.23 63.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.035 0.445 . . . . 0.0 111.145 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 70' ' ' GLN . 97.2 mt -67.35 -24.53 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.836 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -59.47 -29.71 68.01 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -76.85 -14.53 59.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.965 0.412 . . . . 0.0 111.387 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.85 48.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -70.11 -20.83 63.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.194 0.521 . . . . 0.0 110.748 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -71.33 -13.36 61.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.663 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -74.55 146.8 42.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -65.51 136.46 96.17 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.91 173.87 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.364 2.042 . . . . 0.0 112.211 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.61 92.6 4.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.4 pt-20 -76.91 -22.99 52.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.934 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.9 m -59.95 -24.05 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.631 ' O ' ' HB2' ' A' ' 93' ' ' HIS . 75.9 m -60.69 -24.42 65.62 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -75.9 -17.9 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.173 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -82.14 -52.82 6.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -85.67 18.45 2.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.108 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.631 ' HB2' ' O ' ' A' ' 89' ' ' CYS . 6.8 t-160 -90.82 91.15 8.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.978 0.418 . . . . 0.0 110.685 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -114.99 154.46 28.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -56.74 113.99 1.88 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 111.33 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -161.7 123.35 2.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.981 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.426 177.517 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.09 148.28 39.51 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.477 2.118 . . . . 0.0 112.073 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -93.41 108.68 20.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.185 0.517 . . . . 0.0 110.84 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -145.7 110.36 5.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.131 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.77 157.6 19.57 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -142.56 129.07 20.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.471 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 p -69.14 144.03 53.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.082 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -59.33 -39.48 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.33 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -56.42 -42.31 77.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.603 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -68.32 -44.85 74.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.224 0.535 . . . . 0.0 110.296 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' HE2' ' HE2' ' A' ' 47' ' ' TYR . 52.4 mtpt -66.48 -37.38 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.809 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.97 -37.61 81.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.288 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.89 -37.33 87.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.99 0.424 . . . . 0.0 109.95 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.19 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.124 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 44' ' ' ILE . 46.5 t -66.55 -35.69 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.027 0.442 . . . . 0.0 110.056 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.89 79.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.566 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -62.88 -36.9 84.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 175.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -65.7 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.419 . . . . 0.0 110.52 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -95.41 38.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.364 0.602 . . . . 0.0 110.541 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 p -78.68 -12.28 60.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.888 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.55 -45.17 18.51 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.04 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.14 -4.08 35.72 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.092 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -129.74 116.06 18.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.908 0.354 . . . . 0.0 110.481 -175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 15.3 m -61.62 146.92 47.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.24 -177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.43 -41.45 80.46 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.45 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.389 174.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.46 -31.66 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.411 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 17' ' ' LEU . 43.1 mm -58.6 -55.67 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.067 0.461 . . . . 0.0 110.421 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -71.33 -33.76 69.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.808 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -68.19 -30.64 69.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.14 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.69 -43.15 60.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.34 -16.88 58.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.368 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.58 39.45 21.58 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.015 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.4 pt -128.96 169.37 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.47 HD21 ' HB ' ' A' ' 38' ' ' VAL . 28.3 t30 -70.62 143.45 51.47 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.201 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -71.18 -32.38 68.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HB ' HD21 ' A' ' 36' ' ' ASN . 26.0 t -69.64 -41.67 80.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.689 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 m -63.48 -35.69 81.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.359 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 30' ' ' ALA . 40.5 tp -61.18 -53.14 60.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.316 174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.4 tttt -61.0 -33.68 73.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.873 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -53.31 -57.43 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.481 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.447 ' NE1' ' HE3' ' A' ' 11' ' ' LYS . 50.9 m0 -57.83 -42.54 84.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.01 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.569 ' HA ' HG22 ' A' ' 15' ' ' VAL . 84.8 mt -58.25 -38.95 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.297 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 41' ' ' LYS . 82.9 mt -67.67 -47.48 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -66.04 -50.97 62.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.697 ' HE2' ' HE2' ' A' ' 11' ' ' LYS . 97.2 m-85 -78.78 -30.91 45.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.264 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.6 -3.78 68.1 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.517 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 -23.11 60.73 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 74.66 -65.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.922 0.763 . . . . 0.0 111.852 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.5 106.75 5.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.809 0.338 . . . . 0.0 110.228 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -177.07 109.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.444 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG13 ' H ' ' A' ' 54' ' ' GLN . 3.9 p -81.63 -65.16 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -173.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' H ' HG13 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -95.75 166.14 11.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 111.781 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.13 112.29 0.29 Allowed Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p 48.88 93.84 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.867 0.867 . . . . 0.0 112.547 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.5 m -145.86 99.36 4.37 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.95 108.14 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.34 2.693 . . . . 0.0 112.066 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -71.11 -29.35 65.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.16 0.505 . . . . 0.0 111.285 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.27 -20.0 65.98 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.646 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.13 -6.15 48.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.856 -175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.4 -42.04 35.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.421 0.629 . . . . 0.0 109.828 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 m -69.02 -35.56 76.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.291 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -73.61 -35.84 65.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.776 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.58 83.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.588 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -60.13 -48.16 82.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.549 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -65.9 -37.34 85.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.114 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mm -63.46 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.887 175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.731 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -63.2 -39.47 94.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -75.42 -34.43 61.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.264 0.554 . . . . 0.0 110.124 179.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.66 -56.9 13.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.25 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -83.49 -31.86 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.048 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 31.5 mtmm 66.77 174.02 0.25 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.412 0.625 . . . . 0.0 112.308 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -90.95 113.98 26.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.903 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -130.92 177.9 7.08 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.43 69.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.5 mt -46.9 -41.38 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.65 0.594 . . . . 0.0 112.303 -176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -81.02 -50.56 9.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.567 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -80.79 -19.02 45.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -169.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.98 -20.52 48.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.272 0.558 . . . . 0.0 111.109 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.78 -18.64 53.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.606 0.717 . . . . 0.0 110.019 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 m -97.26 -81.66 0.42 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.862 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -71.02 126.21 28.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.045 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.23 153.14 44.54 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.701 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.95 174.87 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.975 2.45 . . . . 0.0 112.603 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.72 25.59 4.02 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.692 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 1.1 mp0 -61.46 -21.7 64.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.136 0.493 . . . . 0.0 111.196 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -67.77 -29.82 69.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.878 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.9 p -68.3 -24.38 64.85 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -71.69 -15.9 62.22 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -173.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -79.14 -49.2 12.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 62.11 -172.54 0.15 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -120.86 -13.05 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.077 173.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.0 m80 52.52 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -79.2 117.56 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -67.66 130.95 44.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.828 178.298 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.15 169.27 16.21 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.569 2.18 . . . . 0.0 111.666 175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 t -130.93 145.54 52.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.385 0.612 . . . . 0.0 110.788 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 6' ' ' TYR . 1.7 tmtp? -152.97 92.96 1.69 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.835 -1.075 . . . . 0.0 108.307 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.57 156.65 22.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.333 0.587 . . . . 0.0 111.69 -173.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CE2' ' HE2' ' A' ' 4' ' ' LYS . 8.0 m-85 -144.37 150.76 38.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.868 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 p -77.43 149.82 35.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -67.08 -41.92 85.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.292 -178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.8 tp10 -65.72 -30.92 71.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 110.49 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.43 -51.42 67.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.169 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 38.8 mtmt -71.88 -30.29 65.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.309 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 45.7 ttt180 -65.68 -44.77 85.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.272 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.37 -29.17 66.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.155 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.832 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 ' HA ' HG13 ' A' ' 44' ' ' ILE . 98.8 t -61.35 -39.96 84.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.854 174.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.39 -39.36 78.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.125 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 14' ' ' ALA . 88.5 mt -60.08 -34.05 72.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.086 0.47 . . . . 0.0 110.933 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HG12 ' A' ' 44' ' ' ILE . 78.8 t80 -63.48 -40.11 96.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.735 -177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -75.77 -23.32 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.085 0.469 . . . . 0.0 110.413 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -92.3 24.24 3.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.126 0.489 . . . . 0.0 110.833 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -71.27 -14.46 62.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.8 -175.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.43 -33.04 74.02 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.396 0.617 . . . . 0.0 109.922 176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.31 3.32 43.61 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.905 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -152.77 115.1 4.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m -60.71 136.76 58.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.339 -175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.1 tp -52.85 -38.55 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.638 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -71.8 -29.84 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -65.97 -43.82 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' HB3' ' A' ' 17' ' ' LEU . 34.5 mm -57.47 -48.16 83.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.86 94.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.272 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.34 -45.29 73.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 111.35 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.13 -40.02 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.058 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.76 -23.97 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.027 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.27 37.47 17.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.241 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 pt -125.03 163.96 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.673 0.273 . . . . 0.0 110.475 -176.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -73.62 144.05 46.09 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -59.07 -36.09 74.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.694 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.52 -41.91 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 m -60.55 -40.64 92.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.62 -50.68 72.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.347 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -57.47 -39.42 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.119 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.0 -33.13 75.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.88 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.634 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 49.3 m0 -63.71 -43.0 97.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.594 0.235 . . . . 0.0 110.851 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG13 ' HA ' ' A' ' 15' ' ' VAL . 2.0 mp -63.12 -46.27 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.638 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.0 mt -69.67 -32.88 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.623 -175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -88.29 -47.2 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -91.17 -38.36 12.77 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.89 19.41 38.36 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 119.884 -1.151 . . . . 0.0 113.673 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.3 p -88.0 -59.51 2.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.408 ' O ' HG23 ' A' ' 53' ' ' VAL . 26.5 t30 63.52 -72.85 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.545 0.528 . . . . 0.0 110.034 -170.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 64.96 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.643 0.777 . . . . 0.0 111.879 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -127.1 12.85 7.2 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' ASN . 91.4 t -71.86 -51.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.706 0.289 . . . . 0.0 110.302 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 54.89 -167.36 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.308 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.05 21.38 4.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.661 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 p -143.87 94.41 2.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.939 0.399 . . . . 0.0 110.136 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -79.43 116.59 61.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.242 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 61' ' ' ALA . 12.2 Cg_exo -71.03 151.65 61.99 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 123.02 2.48 . . . . 0.0 111.4 176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -61.81 -36.69 81.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.236 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.87 -20.96 62.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 0.0 111.026 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' HB3' ' HD2' ' A' ' 58' ' ' PRO . . . -93.87 6.38 48.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.361 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.4 -35.29 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.508 0.671 . . . . 0.0 110.136 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.1 m -70.26 -37.37 74.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.951 175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' HG12 ' A' ' 68' ' ' ILE . 14.7 tp10 -63.14 -36.65 84.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.091 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -67.34 -24.76 65.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.391 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 9.3 tp10 -65.83 -39.65 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -79.21 -30.4 43.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.559 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.4 mm -64.95 -37.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.732 0.301 . . . . 0.0 111.191 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 2.9 ptm180 -72.52 -33.16 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.091 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -74.13 -50.07 21.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.324 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.52 -38.64 66.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.406 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 30.3 mtmm -76.12 -28.72 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.558 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 4.2 mppt? 58.02 -104.57 0.22 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -168.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.81 150.21 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 172.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.22 149.67 23.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.676 -177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.63 69.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.771 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.58 -32.73 73.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.483 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -76.79 -25.34 53.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.34 0.591 . . . . 0.0 109.764 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 79' ' ' ARG . 2.2 tpm_? -69.7 -25.09 63.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.607 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.63 64.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.377 0.608 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -79.71 -11.82 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.602 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.8 m -93.42 -82.59 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.098 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -126.57 126.28 43.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.78 -174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.1 t60 64.34 102.14 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 O-C-N 124.357 1.036 . . . . 0.0 112.736 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.95 -164.83 0.3 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.803 2.335 . . . . 0.0 111.55 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.83 88.58 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.91 0.386 . . . . 0.0 110.798 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.06 -29.08 66.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.6 t -68.35 -25.05 64.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.13 0.49 . . . . 0.0 110.708 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.41 -24.63 57.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.243 0.544 . . . . 0.0 109.982 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.4 mt -74.9 -36.11 62.24 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.79 -34.51 71.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.893 173.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.0 t60 64.42 44.6 4.08 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -168.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -53.05 114.06 1.32 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.565 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -86.17 -48.09 8.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.593 -173.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -74.67 122.37 23.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 0.0 111.398 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -145.51 147.56 32.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.487 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.243 0.722 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.256 176.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.6 ttt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 12.0 Cg_exo -70.93 143.13 44.41 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.608 2.205 . . . . 0.0 111.951 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -153.86 169.3 23.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -152.24 110.61 3.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.247 0.546 . . . . 0.0 110.33 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -97.57 -138.64 0.28 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.717 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -52.64 158.34 1.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.387 0.613 . . . . 0.0 112.113 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.9 m -111.15 161.83 15.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.143 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.5 -35.74 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.96 -38.55 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.505 176.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.55 -47.96 68.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 52.1 mtmt -62.59 -32.13 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.563 177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 15.3 ttt180 -71.08 -41.75 70.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.821 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.708 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.39 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.95 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.1 t -66.23 -42.91 91.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.565 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . . . -65.44 -35.38 80.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.727 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 ' HG ' HD12 ' A' ' 29' ' ' ILE . 51.1 tp -65.87 -44.11 86.35 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.151 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' CE1' ' HG ' ' A' ' 26' ' ' LEU . 49.8 t80 -65.46 -43.03 91.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.154 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 10.1 pt-20 -64.69 -17.72 64.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -82.38 38.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.468 0.651 . . . . 0.0 109.665 173.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 p -65.36 -13.4 58.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.875 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -52.58 -27.29 16.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.401 174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.59 41.54 1.35 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.689 175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -162.2 138.54 7.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.899 0.381 . . . . 0.0 110.91 -177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' ILE . 46.8 t -97.05 152.4 18.79 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.775 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' CE1' ' A' ' 18' ' ' TYR . 2.8 tt -62.25 -51.62 67.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.209 -178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 52.8 tp60 -58.58 -39.69 81.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.04 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 60.2 tt0 -58.33 -42.85 87.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.1 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.685 HD12 ' HG ' ' A' ' 17' ' ' LEU . 45.1 mm -64.55 -53.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.87 93.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -63.88 -47.12 81.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.594 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.57 -39.78 92.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.578 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.33 -34.42 70.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.865 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.65 35.2 5.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.95 175.76 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 0.0 110.419 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -77.84 144.45 37.02 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.325 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 44.8 ttp180 -60.06 -35.49 75.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.762 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.2 t -71.26 -43.13 74.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.194 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.9 m -58.49 -41.2 84.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.614 177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' ILE . 50.7 tp -63.12 -48.57 77.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 176.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 44' ' ' ILE . 77.7 tttt -56.96 -42.21 79.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.701 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.17 -46.03 75.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.208 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -64.77 -45.18 87.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 41' ' ' LYS . 72.6 mt -55.53 -48.53 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.36 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.69 -32.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -77.99 -52.35 8.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.404 -174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -92.69 -22.35 19.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 0.0 111.415 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' HA3' HG11 ' A' ' 15' ' ' VAL . . . -105.56 46.65 1.14 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.007 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.6 p -62.1 -36.07 80.61 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 122.614 0.366 . . . . 0.0 111.6 -176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -94.93 115.18 27.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.302 0.572 . . . . 0.0 110.681 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -156.75 -36.86 0.08 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.795 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -156.27 78.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.412 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -82.47 -54.69 9.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.755 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -126.07 122.35 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.944 0.402 . . . . 0.0 111.419 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.82 27.03 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.1 p 49.81 93.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.663 1.185 . . . . 0.0 111.963 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.9 m -83.14 118.79 72.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.727 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -58.1 -35.74 98.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.846 2.364 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.63 -27.45 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.33 -24.02 40.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.89 -6.22 47.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.402 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.97 -32.87 49.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.248 0.547 . . . . 0.0 109.851 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -62.54 -34.96 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.339 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 68' ' ' ILE . 2.3 tp10 -78.24 -36.31 47.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.22 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.232 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.58 -50.53 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.343 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.88 -36.83 83.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.461 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 64' ' ' GLU . 24.5 mm -58.3 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 69' ' ' ARG . 50.2 mtt180 -58.32 -47.24 84.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 110.385 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -63.78 -42.99 97.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.169 -175.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.1 -46.27 65.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.695 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.97 -43.55 44.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -102.27 25.45 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.595 -174.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 3.8 tp10 -63.76 -59.04 5.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.915 0.388 . . . . 0.0 110.452 177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.45 -172.15 4.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.722 -177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.11 -11.26 59.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.9 mt -44.11 -53.64 6.25 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -76.16 -38.21 56.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -66.52 -25.35 66.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -176.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.21 74.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.401 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -81.35 -23.78 37.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.768 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -73.09 -16.26 61.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -92.9 144.71 25.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.351 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -127.82 94.56 36.89 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.459 0.171 . . . . 0.0 110.661 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -81.02 179.63 5.82 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.77 2.313 . . . . 0.0 112.089 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.42 121.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.43 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -78.64 -22.8 46.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 174.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 p -67.93 -33.74 75.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.835 -176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.3 p -77.05 -25.36 52.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.412 . . . . 0.0 110.944 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.7 tp -67.99 -40.48 83.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.84 -51.73 37.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.424 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 48.96 24.24 0.83 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.458 1.103 . . . . 0.0 113.154 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 64.85 94.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 123.624 0.77 . . . . 0.0 112.642 175.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -77.89 -22.61 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.751 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.532 ' O ' ' HB3' ' A' ' 96' ' ' HIS . 53.0 t-80 -82.51 150.88 26.73 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 95' ' ' HIS . 25.9 t60 74.54 97.48 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.706 0.765 . . . . 0.0 109.905 -176.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.964 -177.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.89 127.03 13.92 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.589 2.193 . . . . 0.0 111.685 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.3 112.78 10.8 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.875 -176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -156.85 84.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -153.62 162.38 41.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.679 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -124.92 131.2 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.941 0.4 . . . . 0.0 110.705 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 50.2 m -150.64 160.0 44.12 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 5.3 mm-40 -69.55 -51.12 38.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -169.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -31.01 72.04 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 7' ' ' SER . 58.8 t80 -52.46 -48.03 66.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.382 173.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 7' ' ' SER . 68.3 mttt -72.04 -37.1 69.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.737 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 54.9 mtt180 -56.63 -45.79 81.33 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.148 0.499 . . . . 0.0 110.316 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.1 t70 -62.84 -36.38 83.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.967 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.56 -38.56 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.978 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.62 -39.61 80.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.076 0.465 . . . . 0.0 110.119 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.65 -27.45 66.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.587 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 14' ' ' ALA . 66.7 mt -64.52 -32.96 74.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.29 174.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -69.85 -27.43 64.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.078 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -71.53 -21.04 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.501 . . . . 0.0 110.152 176.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -101.06 21.19 14.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.561 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 p -65.99 -11.5 48.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.852 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -43.44 -43.04 5.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.964 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.6 32.92 3.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.23 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.88 129.73 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.084 0.468 . . . . 0.0 111.049 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -71.46 155.69 40.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.68 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.98 -39.42 85.63 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 53.6 tp60 -59.34 -43.79 92.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.809 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -63.34 -38.42 91.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.039 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.78 -51.31 74.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.09 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.223 0.535 . . . . 0.0 111.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 12.6 t-20 -66.77 -35.74 80.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.627 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -75.72 -34.12 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.739 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -81.86 -24.57 35.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.188 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.3 10.1 57.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.039 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 pt -109.61 170.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.912 0.356 . . . . 0.0 111.218 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 27.5 t30 -67.28 144.04 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.634 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.59 -35.42 76.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 49.1 t -73.82 -39.79 52.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.21 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.0 m -63.31 -40.44 97.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.5 tp -61.77 -47.24 86.06 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.143 0.497 . . . . 0.0 109.883 174.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.655 ' HE2' HD11 ' A' ' 45' ' ' ILE . 81.3 tttt -57.73 -41.53 82.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -54.94 -45.07 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.8 m0 -65.51 -43.03 91.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 110.529 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.92 -41.18 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.872 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HE2' ' A' ' 41' ' ' LYS . 70.8 mt -72.02 -33.06 46.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -84.26 -47.14 11.09 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.804 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -86.15 -37.94 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.717 0.294 . . . . 0.0 111.365 -176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.77 53.58 0.59 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 40.3 t -55.65 -24.02 31.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.0 t-20 77.07 -34.12 0.21 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.013 0.525 . . . . 0.0 110.139 -176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 49' ' ' SER . 29.8 m80 -76.46 93.62 3.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.904 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -82.94 71.61 10.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.805 0.812 . . . . 0.0 110.903 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.91 -42.65 69.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.475 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.78 103.02 9.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.791 170.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.67 -91.92 0.23 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.239 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.1 p 53.24 102.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.232 1.013 . . . . 0.0 113.098 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.3 m -62.62 122.48 74.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.966 174.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.49 127.63 27.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.801 2.334 . . . . 0.0 112.546 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.8 m -63.92 -21.05 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.55 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.23 62.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.253 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 64' ' ' GLU . . . -73.92 -5.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -174.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.13 -45.44 79.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.58 0.705 . . . . 0.0 109.665 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 m -87.82 -33.57 18.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.225 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . 3.7 tp10 -60.33 -31.84 70.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.915 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.04 49.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.367 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.7 -53.87 13.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.117 0.484 . . . . 0.0 109.954 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 6.4 pm0 -71.95 -31.74 66.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.035 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.12 -42.81 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.522 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -64.46 -30.55 71.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.42 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -49.45 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.74 -39.26 90.97 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.009 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.591 ' HB3' ' HG3' ' A' ' 74' ' ' GLU . 30.4 mmtp -64.72 -26.49 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.289 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt 67.9 23.75 8.26 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.724 0.64 . . . . 0.0 110.803 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HG3' ' HB3' ' A' ' 72' ' ' LYS . 43.9 mt-10 -77.85 115.14 17.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.251 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 p30 -114.15 178.5 4.26 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 173.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.55 -28.33 61.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 111.309 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 73.0 mt -64.09 -25.79 68.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.209 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -56.3 12.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.4 . . . . 0.0 110.936 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.0 mtt180 -85.94 -14.98 43.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.241 0.544 . . . . 0.0 110.916 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 77' ' ' LEU . . . -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.331 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -75.44 -17.95 60.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.79 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 m -83.95 -3.08 57.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.438 -172.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 80' ' ' ALA . 5.1 ppt_? -100.28 151.86 20.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.884 -0.51 . . . . 0.0 110.711 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -95.28 153.78 39.59 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.158 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -80.74 174.41 11.09 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.357 2.038 . . . . 0.0 112.637 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HB1' ' SG ' ' A' ' 89' ' ' CYS . . . -127.79 68.67 1.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.862 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.28 -36.93 81.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.407 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -68.03 -40.02 82.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.79 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.424 ' SG ' ' HB1' ' A' ' 86' ' ' ALA . 8.1 m -73.54 -25.08 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.176 0.512 . . . . 0.0 110.903 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.4 tp -70.97 -36.27 72.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.077 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.62 -48.81 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.753 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -144.3 131.0 20.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.072 0.463 . . . . 0.0 111.24 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -130.42 168.9 16.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.448 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -81.57 123.72 28.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.77 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -129.12 125.08 36.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -86.74 133.12 33.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.184 0.516 . . . . 0.0 111.142 -174.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.287 -0.863 . . . . 0.0 109.938 178.358 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -87.62 45.0 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.384 2.723 . . . . 0.0 111.911 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 p -81.23 107.49 14.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.658 0.742 . . . . 0.0 111.711 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -109.82 94.07 4.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.907 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -119.14 162.16 19.1 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 -175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -107.43 154.73 20.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.585 -179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.5 m -61.53 140.13 58.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.15 0.281 . . . . 0.0 110.278 176.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -33.01 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 36.6 tt0 -63.04 -41.86 99.6 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.334 0.588 . . . . 0.0 110.364 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 75.0 t80 -59.82 -36.17 76.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.371 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' SER . 82.8 mttt -73.96 -38.76 64.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 6.3 ppt_? -71.58 -22.33 61.75 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -37.83 85.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 170.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -66.58 -33.15 75.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.889 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.31 -37.1 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.137 0.494 . . . . 0.0 109.926 175.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.23 73.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.569 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 99.3 mt -62.87 -37.32 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.103 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -68.22 -28.24 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.64 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.76 -26.72 67.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.387 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -100.11 33.17 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.316 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 p -65.49 -14.22 60.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.619 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -48.02 -40.81 23.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.468 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.45 27.31 5.81 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.185 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.98 129.12 11.86 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.793 0.297 . . . . 0.0 110.85 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.3 t -73.15 148.79 43.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.123 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.6 tt -57.0 -36.53 70.49 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 49.0 tp60 -56.35 -53.12 61.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.216 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -60.92 -41.5 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.715 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.89 -51.67 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.979 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.63 -44.17 91.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.259 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.33 -30.27 70.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.806 -178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CZ ' ' A' ' 10' ' ' PHE . 33.2 tp -86.43 -26.87 24.48 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.878 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.78 22.28 18.73 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.583 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 pt -116.43 171.18 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.793 0.33 . . . . 0.0 110.76 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -82.54 156.27 24.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.547 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 27' ' ' GLN . 75.2 mtt180 -55.28 -37.49 67.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.106 0.479 . . . . 0.0 110.443 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.11 -40.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.72 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -57.75 -43.73 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.664 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 44' ' ' ILE . 59.5 tp -60.46 -49.84 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.553 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -59.98 -41.77 92.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.822 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -54.81 -43.67 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.419 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -69.79 -40.39 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.615 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.1 mt -57.99 -47.01 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.145 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.86 -41.1 87.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.009 0.433 . . . . 0.0 110.936 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -73.15 -41.4 63.97 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -175.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 98.8 m-85 -100.19 -28.53 12.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.97 57.87 0.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.945 178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 m -70.58 -24.47 62.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.524 0.202 . . . . 0.0 111.52 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.31 -57.96 8.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.167 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.2 t60 61.58 25.55 15.44 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.702 0.763 . . . . 0.0 110.19 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -80.57 82.21 6.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.224 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.3 m -71.95 -37.74 62.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -89.76 129.97 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.316 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.67 11.29 5.82 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 113.676 -173.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 73.08 115.45 0.06 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.77 0.795 . . . . 0.0 111.305 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.1 m -98.07 124.89 45.82 Favored Pre-proline 0 C--N 1.312 -1.031 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.201 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 157.32 59.33 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.634 2.223 . . . . 0.0 112.802 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -65.75 -23.34 66.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.718 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.71 -21.91 63.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.1 -5.56 59.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 0.0 111.357 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -80.64 -41.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 110.123 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 m -71.48 -33.66 69.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.633 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 68' ' ' ILE . 53.6 tt0 -71.25 -35.79 71.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.384 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.664 ' O ' ' HG3' ' A' ' 69' ' ' ARG . . . -58.11 -35.15 71.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.81 -48.2 82.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.39 0.614 . . . . 0.0 110.012 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -68.76 -33.09 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.023 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 64' ' ' GLU . 31.7 mm -62.84 -39.86 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 175.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 45.2 mtt180 -63.32 -35.54 80.72 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.093 0.473 . . . . 0.0 110.273 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -50.41 65.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.231 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.78 -25.92 64.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.929 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -64.15 -16.26 61.52 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.814 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -75.16 175.41 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.03 122.77 17.34 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.961 0.41 . . . . 0.0 111.061 -177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -120.04 -171.33 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.281 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB1' ' HG2' ' A' ' 85' ' ' PRO . . . -58.72 -26.74 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -173.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.89 -35.27 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -81.26 -27.46 35.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.65 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -81.03 -16.31 53.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.02 62.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.348 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -70.0 -25.58 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.078 0.466 . . . . 0.0 111.49 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -105.34 -82.66 0.52 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.591 ' O ' ' HD3' ' A' ' 85' ' ' PRO . 41.1 ttt180 -108.39 140.43 41.7 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -93.32 107.28 24.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.591 ' HD3' ' O ' ' A' ' 83' ' ' ARG . 80.4 Cg_endo -98.33 -171.19 0.13 Allowed 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 123.682 2.922 . . . . 0.0 111.614 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 89' ' ' CYS . . . 48.71 68.25 0.73 Allowed 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.673 0.608 . . . . 0.0 111.378 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.63 -26.57 56.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.08 -174.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -86.57 -50.18 7.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.878 0.37 . . . . 0.0 111.148 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.407 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 37.0 t -67.37 -32.41 73.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.346 -175.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.1 tp -64.57 -36.97 85.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.278 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -65.87 -40.69 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.0 m80 66.67 169.61 0.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.716 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -118.37 113.61 21.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.348 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 32.1 m170 -90.47 168.33 11.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 94' ' ' HIS . 23.3 m-70 74.28 104.66 0.07 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.667 0.604 . . . . 0.0 110.087 -176.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -149.71 147.62 28.27 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.586 176.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.92 -29.66 67.24 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.465 2.11 . . . . 0.0 111.238 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 p -97.31 121.19 38.93 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.724 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -120.54 17.06 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.256 0.55 . . . . 0.0 110.674 177.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 154.39 42.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.106 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 4.6 p90 -115.05 156.89 24.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.407 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.9 m -85.01 159.09 20.29 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -26.7 65.63 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.582 -175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.65 -39.3 76.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.96 0.41 . . . . 0.0 110.431 176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 49.1 t80 -57.67 -49.5 76.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.903 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 mtpt -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.2 -39.04 91.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.837 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.16 -36.97 66.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.917 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.44 76.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 44' ' ' ILE . 49.1 t -64.5 -42.77 96.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 121.029 0.442 . . . . 0.0 110.266 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.89 78.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.239 0.542 . . . . 0.0 110.554 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD23 HG23 ' A' ' 29' ' ' ILE . 27.7 tp -62.46 -34.79 77.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.222 177.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.446 ' CG ' HD13 ' A' ' 44' ' ' ILE . 50.9 t80 -66.99 -27.69 67.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.192 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.2 -17.66 63.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.263 175.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -101.11 24.39 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.427 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.9 p -68.33 -14.31 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.955 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -60.89 -13.54 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.199 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.27 19.65 4.83 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.084 -0.579 . . . . 0.0 111.905 175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.55 119.7 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.687 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.9 m -65.5 153.78 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.047 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 37' ' ' ARG . 5.4 tt -54.81 -46.58 74.54 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.332 -178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.14 -42.79 91.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -58.43 -38.83 78.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.801 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 17' ' ' LEU . 46.5 mm -62.84 -56.73 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.421 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.12 -28.94 69.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.304 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.567 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.25 -38.46 85.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.233 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -74.69 -25.68 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.917 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.97 23.0 43.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.431 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.8 pt -118.69 173.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.721 0.296 . . . . 0.0 110.839 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -72.42 151.25 42.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.025 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' HD22 ' A' ' 26' ' ' LEU . 21.1 ptt180 -64.8 -29.17 70.12 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.835 0.35 . . . . 0.0 110.719 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -72.91 -39.23 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.324 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.3 m -56.71 -43.79 80.94 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 44' ' ' ILE . 49.2 tp -62.06 -52.64 63.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.562 176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 44' ' ' ILE . 83.8 tttt -56.49 -43.73 79.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.029 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -57.82 -36.17 71.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.067 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -68.66 -47.74 65.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.298 0.571 . . . . 0.0 109.856 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.524 ' HA ' HG22 ' A' ' 15' ' ' VAL . 61.0 mt -58.21 -49.77 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.654 -176.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' SER . 73.5 mt -60.12 -33.93 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -83.21 -44.79 14.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.583 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -86.16 -30.86 22.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.79 28.61 14.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.674 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 23.1 t -79.62 -36.57 37.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.165 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.8 t30 60.8 -98.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.82 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -154.01 85.14 1.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.87 0.366 . . . . 0.0 110.53 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -100.21 56.27 0.93 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.387 0.613 . . . . 0.0 109.557 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLN . 6.8 p -75.73 -50.57 22.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.378 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -111.59 103.36 11.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.522 175.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.64 121.39 0.72 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.039 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.6 p 51.24 93.76 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.039 0.936 . . . . 0.0 112.367 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 100.58 37.31 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.397 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.08 -19.36 45.39 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.954 2.436 . . . . 0.0 112.046 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -64.54 -33.8 76.76 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.614 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.73 -30.31 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.261 0.553 . . . . 0.0 111.116 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.49 -0.87 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.202 -176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.1 t -82.51 -48.68 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 110.158 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.8 m -75.55 -37.6 59.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.673 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' HG3' HD13 ' A' ' 68' ' ' ILE . 5.6 tp10 -63.98 -22.6 67.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.847 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' ARG . . . -61.39 -31.68 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.213 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.76 -38.01 82.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.703 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.38 -41.57 27.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.511 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.618 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.4 mp -62.21 -32.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.135 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 66.6 ttt180 -54.43 -37.09 64.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.053 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -79.45 -49.52 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.549 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.21 -50.23 9.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.649 -170.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -71.67 -30.55 65.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.058 0.456 . . . . 0.0 110.859 -171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -128.16 105.9 8.68 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -51.63 113.6 1.02 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.851 0.834 . . . . 0.0 112.479 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -67.73 -15.43 63.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.021 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.61 -35.14 60.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.638 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.94 -38.74 92.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 0.0 110.799 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.53 -39.6 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 178.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.04 -21.33 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.984 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.14 -27.99 42.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.738 177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -85.19 -27.03 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.786 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -90.39 5.22 48.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.761 -177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 67.0 140.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.839 0.828 . . . . 0.0 112.776 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -84.04 111.36 32.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.475 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.44 173.15 14.76 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.355 2.037 . . . . 0.0 113.08 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.38 170.08 10.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.34 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 3.4 mp0 -52.71 -54.7 30.05 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.343 0.402 . . . . 0.0 111.503 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 m -63.49 -34.96 78.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.403 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.4 m -75.42 -30.93 60.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.111 0.481 . . . . 0.0 110.677 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.5 tp -65.91 -38.69 89.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.975 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.42 -47.14 87.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m80 60.2 -175.37 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.614 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 59.89 88.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.124 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -144.6 -70.12 0.29 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.727 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 68.43 133.48 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.843 0.714 . . . . 0.0 110.558 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -125.66 167.66 14.81 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.25 1.114 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.41 -12.86 32.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.961 2.441 . . . . 0.0 113.166 -176.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.7 m 67.38 144.54 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.262 0.625 . . . . 0.0 111.294 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -137.8 100.04 4.08 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.16 0.505 . . . . 0.0 111.03 -174.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.73 164.16 27.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.714 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.524 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 2.2 p90 -148.63 177.57 9.38 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 m -96.86 134.41 40.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.885 0.374 . . . . 0.0 110.149 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.64 -26.4 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.985 0.422 . . . . 0.0 110.644 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 26.7 tp10 -59.46 -30.67 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.042 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.3 t80 -62.32 -42.34 99.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.1 mttt -64.63 -39.61 94.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.318 0.58 . . . . 0.0 109.876 177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 66.1 ttt180 -59.36 -41.01 88.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.474 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.52 -36.02 73.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.35 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.29 -37.83 88.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.068 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 11' ' ' LYS . 62.1 t -63.5 -39.68 86.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.222 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -31.61 71.15 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.152 0.501 . . . . 0.0 110.657 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 14' ' ' ALA . 85.2 mt -62.69 -33.38 74.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.03 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.74 -30.0 70.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.192 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.28 -25.36 54.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.866 0.365 . . . . 0.0 111.022 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -90.34 26.4 1.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.637 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.568 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 4.3 p -72.2 -18.69 61.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.708 -174.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.0 -23.55 67.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.309 0.576 . . . . 0.0 109.782 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.37 3.22 22.04 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -153.32 114.44 4.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.649 0.262 . . . . 0.0 110.594 -178.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.6 146.47 51.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.787 -177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 26' ' ' LEU . 5.9 tt -56.7 -38.97 73.03 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.93 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -57.21 -50.56 72.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.304 176.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -61.59 -39.45 91.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.846 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.458 HD12 ' HB3' ' A' ' 17' ' ' LEU . 47.3 mm -61.02 -55.16 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.568 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.25 90.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.332 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -64.38 -41.08 96.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.672 -178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.83 -42.91 85.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.922 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 10.7 mp -70.55 -29.79 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.83 31.09 9.58 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.509 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -131.63 160.2 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 120.664 0.269 . . . . 0.0 110.427 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.35 149.79 49.85 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.058 175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -61.23 -30.69 70.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.301 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.03 -39.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.033 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 m -60.88 -41.92 96.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.196 0.522 . . . . 0.0 110.166 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 44' ' ' ILE . 62.0 tp -61.2 -47.59 85.41 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.252 174.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.16 -47.89 77.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.747 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -55.72 -43.28 76.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.653 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 11' ' ' LYS . 38.1 m0 -59.69 -44.2 93.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 176.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 ' HA ' HG22 ' A' ' 15' ' ' VAL . 78.1 mt -62.46 -49.9 82.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.288 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.8 -38.33 82.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.92 0.39 . . . . 0.0 111.372 -176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -71.52 -50.25 33.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.484 -175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 6.8 m-85 -86.29 -38.52 17.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.388 . . . . 0.0 111.392 -176.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.26 71.58 0.21 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 28.2 m -56.03 -24.5 39.77 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 49' ' ' SER . 24.1 t-20 73.68 -60.03 0.54 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.127 0.571 . . . . 0.0 111.837 174.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -77.3 -41.73 39.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.844 0.354 . . . . 0.0 110.5 -176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -82.52 64.27 7.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 0.0 109.746 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLN . 7.6 p -81.61 -49.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.891 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 20.5 tp60 61.23 23.57 13.77 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.972 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.52 -104.9 1.12 Allowed Glycine 0 C--N 1.333 0.37 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.504 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 p -145.35 101.3 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.805 0.336 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.9 t -55.68 112.5 4.33 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.347 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.49 106.91 0.77 Allowed 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.785 2.323 . . . . 0.0 112.788 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 t -67.57 -24.01 65.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.182 0.515 . . . . 0.0 110.461 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.49 -20.6 62.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.671 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.38 2.33 50.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.397 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.83 -30.61 47.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 110.129 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -63.25 -40.09 96.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.047 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG2' HG12 ' A' ' 68' ' ' ILE . 39.8 tt0 -73.89 -23.49 59.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.536 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.15 69.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.576 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -65.81 -38.99 90.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.257 0.551 . . . . 0.0 110.041 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.2 -47.86 59.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.756 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG12 ' HG2' ' A' ' 64' ' ' GLU . 34.3 mm -59.79 -33.76 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.074 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -50.86 -47.68 60.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.813 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -80.58 -48.47 12.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.88 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -65.06 -54.81 24.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.492 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.86 3.46 55.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.525 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -123.4 111.29 16.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 174.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -59.21 114.16 2.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.018 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -127.64 -176.27 3.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.137 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.05 84.94 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.523 0.514 . . . . 0.0 112.191 -175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.6 -38.6 89.92 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.072 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.31 -37.05 80.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -82.37 -19.18 39.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.077 0.465 . . . . 0.0 110.764 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.38 -19.74 55.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.58 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -54.78 -22.24 13.6 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 m -67.17 -19.47 65.59 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.169 0.509 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -131.92 158.71 40.69 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.177 0.513 . . . . 0.0 111.136 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -125.04 101.92 31.69 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.23 173.9 12.3 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.35 2.033 . . . . 0.0 112.84 -176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.5 87.09 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -31.09 61.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.98 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -62.89 -35.48 80.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.7 t -74.63 -24.12 58.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.5 tp -68.16 -50.14 56.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 110.823 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.52 -42.47 25.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.737 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -94.76 67.59 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -103.82 150.42 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.439 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -133.36 170.93 14.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.211 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -90.1 97.7 11.34 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 57.55 -97.25 0.07 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.959 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.959 0 C-N-CA 123.653 0.781 . . . . 0.0 109.288 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -70.35 -27.78 23.21 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.987 2.458 . . . . 0.0 112.512 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 t -162.42 167.14 24.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.486 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.9 tptt 66.88 114.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.303 1.002 . . . . 0.0 111.995 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' HB ' ' H ' ' A' ' 6' ' ' TYR . 8.8 p -89.44 -154.62 0.32 Allowed 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.474 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -46.25 128.86 10.05 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 112.597 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.0 p -100.19 -169.44 1.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.347 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.565 ' HB2' ' HE2' ' A' ' 47' ' ' TYR . 9.6 pt-20 -69.21 -30.75 68.99 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.762 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.68 -39.47 94.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.089 0.471 . . . . 0.0 110.421 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.91 -41.94 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.185 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.5 mttt -70.06 -37.75 75.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -62.89 -40.54 97.86 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.54 -35.93 82.31 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 110.532 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.71 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.165 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 47' ' ' TYR . 94.7 t -68.25 -39.54 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.917 0.389 . . . . 0.0 110.388 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -32.1 72.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.643 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -63.69 -38.47 91.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.602 176.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -72.7 -25.3 61.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.59 -31.21 72.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.349 0.595 . . . . 0.0 110.235 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.98 38.17 1.03 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.947 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 59.8 p -65.51 -19.69 66.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.356 -174.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -50.7 -45.51 58.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.422 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.79 18.54 16.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.154 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.619 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -151.52 95.76 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.101 0.477 . . . . 0.0 110.72 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 29' ' ' ILE . 3.9 p -76.0 160.3 29.98 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.537 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.01 -48.67 75.48 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.646 -176.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 19.4 tm0? -57.41 -44.86 84.94 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -65.63 -34.96 79.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.744 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB1' ' A' ' 24' ' ' ALA . 48.8 mm -63.29 -51.55 69.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.064 0.459 . . . . 0.0 110.344 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -28.87 67.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.695 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.2 t-20 -68.64 -44.3 74.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.711 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.91 -51.13 61.28 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.952 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.37 -30.01 63.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.271 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.23 47.21 5.85 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.891 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 pt -130.17 172.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.502 0.191 . . . . 0.0 110.509 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -77.46 144.18 37.96 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 110.22 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -70.56 -29.76 66.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.994 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.15 -41.63 58.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.02 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.954 0.407 . . . . 0.0 110.266 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' ILE . 56.9 tp -58.22 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.417 175.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.59 -43.7 76.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.109 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -57.51 -38.59 74.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -71.75 -43.46 65.74 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.539 ' HA ' HG22 ' A' ' 15' ' ' VAL . 81.7 mt -54.87 -44.21 71.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.253 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.39 -45.29 86.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.675 ' HD3' ' HB3' ' A' ' 52' ' ' ASN . 64.1 mttp -69.12 -51.12 41.73 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.943 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 8' ' ' GLU . 74.8 m-85 -83.46 -21.96 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.595 0.236 . . . . 0.0 111.418 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.25 -31.35 74.4 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 m -76.81 -55.69 5.26 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -176.67 -68.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.961 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -164.55 159.1 18.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.33 -174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.675 ' HB3' ' HD3' ' A' ' 46' ' ' LYS . 1.4 p30 -90.34 75.46 6.87 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.937 0.875 . . . . 0.0 110.638 177.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.19 -21.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.183 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 61.52 79.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.37 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.66 100.97 0.28 Allowed Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.969 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -153.5 110.14 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.79 0.805 . . . . 0.0 109.943 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.0 m -125.63 132.19 24.24 Favored Pre-proline 0 C--N 1.298 -1.658 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.997 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.97 74.3 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.826 2.35 . . . . 0.0 113.569 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -74.61 -24.32 58.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.535 0.683 . . . . 0.0 109.734 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.23 -19.31 63.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.918 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.65 1.62 14.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.7 -31.4 52.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 0.0 110.625 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.9 m -63.31 -40.21 96.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 9.3 tp10 -78.1 -35.51 49.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.505 . . . . 0.0 110.369 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.48 ' HA ' ' HB ' ' A' ' 68' ' ' ILE . . . -61.17 -24.75 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.214 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.56 -35.48 80.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 64' ' ' GLU . 1.9 mp0 -79.84 -41.21 26.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.267 173.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' HB ' ' HA ' ' A' ' 65' ' ' ALA . 76.9 mt -56.98 -43.74 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.012 -177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -57.59 -44.14 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.592 0.234 . . . . 0.0 111.566 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -26.58 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 111.249 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 58.8 tp -81.6 -46.12 14.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.597 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -73.71 -42.06 61.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.198 -175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.906 ' HE2' ' HG3' ' A' ' 78' ' ' GLN . 59.1 mtpt -76.66 93.56 3.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.0 pt-20 -93.38 154.73 17.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.517 -168.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 50.4 -153.07 0.16 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.869 -1.059 . . . . 0.0 112.834 168.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.589 ' HA ' HH21 ' A' ' 79' ' ' ARG . . . -68.03 -28.4 67.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.996 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 74' ' ' GLU . 4.5 pp -62.1 -26.3 68.21 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.439 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.906 ' HG3' ' HE2' ' A' ' 73' ' ' LYS . 6.1 tt0 -55.35 -49.79 71.32 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.039 0.447 . . . . 0.0 110.539 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.589 HH21 ' HA ' ' A' ' 76' ' ' ALA . 34.8 mtm180 -72.29 -21.67 61.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.878 -177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.6 -38.74 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.046 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 56.5 mmm-85 -77.99 -25.6 48.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.196 0.522 . . . . 0.0 111.206 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.6 m -76.95 -18.82 58.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.61 0.719 . . . . 0.0 109.894 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -85.92 124.53 32.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.663 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -96.22 119.25 64.73 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.135 0.493 . . . . 0.0 110.836 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -91.29 -175.6 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.16 0 C-N-CA 122.852 2.368 . . . . 0.0 110.969 171.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 89' ' ' CYS . . . -75.96 110.7 10.64 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 4.7 tp10 -56.39 -44.15 79.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.581 ' HA ' ' HB2' ' A' ' 91' ' ' GLU . 58.8 m -67.32 -22.9 65.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.779 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 86' ' ' ALA . 51.9 t -64.09 -24.53 67.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.289 0.566 . . . . 0.0 109.97 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.1 tp -95.94 -36.08 11.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.394 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 88' ' ' SER . 50.3 mt-10 -60.11 -33.56 72.29 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.06 138.63 55.95 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.193 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -93.53 -92.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.668 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 t60 63.19 114.83 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.604 0.565 . . . . 0.0 111.14 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -53.13 124.22 13.85 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.057 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 6.0 p80 -80.17 126.14 30.73 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 96' ' ' HIS . 40.2 t-80 . . . . . 0 C--O 1.249 1.076 0 O-C-N 124.167 0.917 . . . . 0.0 109.697 -170.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.775 0.321 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.62 -43.01 4.28 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.623 2.215 . . . . 0.0 111.705 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 p -95.59 106.61 18.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.182 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.41 112.91 24.43 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 121.44 0.638 . . . . 0.0 109.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -101.25 157.79 16.52 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.545 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -133.69 106.38 7.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.086 0.469 . . . . 0.0 110.691 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 m -72.59 166.0 23.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -58.64 -35.3 72.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.654 0.264 . . . . 0.0 110.766 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' ' HG3' ' A' ' 12' ' ' ARG . 31.1 mm-40 -62.22 -30.9 71.41 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.536 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -73.51 -34.88 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.216 0.531 . . . . 0.0 109.738 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -74.61 -42.07 59.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.325 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.2 -23.74 63.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.91 0.386 . . . . 0.0 110.325 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.88 -40.69 75.54 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -60.9 -38.66 86.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.947 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 44' ' ' ILE . 56.6 t -61.98 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.621 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.42 72.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' ILE . 78.4 mt -67.56 -33.86 75.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.236 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.23 -25.51 63.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 110.617 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -72.1 -19.07 61.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.438 0.637 . . . . 0.0 110.465 175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -111.39 31.86 5.8 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.739 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.2 p -66.61 -14.51 62.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.983 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -53.61 -30.98 45.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.03 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.04 13.67 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.26 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -168.16 95.05 0.4 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.956 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -72.46 177.99 4.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.495 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -52.84 -51.78 59.66 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.158 -176.173 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 25.9 tp60 -66.23 -32.69 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -63.92 -44.97 91.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.772 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 17' ' ' LEU . 48.2 mm -65.68 -51.8 58.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.923 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.47 70.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.447 . . . . 0.0 111.519 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 10.3 t-20 -65.25 -38.84 91.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.593 -177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.48 -40.62 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.751 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.79 -26.26 63.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.258 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.05 38.84 9.79 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.216 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 40' ' ' LEU . 25.9 pt -136.1 154.97 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 145.1 56.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.248 0.547 . . . . 0.0 110.65 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB2' HD12 ' A' ' 26' ' ' LEU . 16.5 ptt180 -67.14 -25.37 66.14 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.448 -172.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.3 t -65.3 -44.82 94.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.37 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -66.32 -39.92 89.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' HB1' ' A' ' 14' ' ' ALA . 40.9 tp -62.37 -47.5 83.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.766 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -39.58 73.11 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.447 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -58.45 -49.13 78.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.483 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.5 m0 -58.15 -46.89 84.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 111.452 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.556 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.1 mt -59.19 -45.99 92.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.028 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.01 -36.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.321 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -67.61 -46.85 71.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -98.16 -37.75 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -92.68 35.95 3.87 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.862 -176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -64.4 -24.55 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 111.711 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.96 -0.83 38.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.49 . . . . 0.0 111.168 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -120.12 -176.31 3.17 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.287 -175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.95 100.56 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.124 0 O-C-N 124.176 0.923 . . . . 0.0 112.385 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.81 -34.8 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.041 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 58.37 71.04 0.6 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.153 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.17 -127.91 0.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.851 -172.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 68.14 107.78 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.655 0.74 . . . . 0.0 110.041 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.5 m -132.58 111.14 13.66 Favored Pre-proline 0 C--N 1.311 -1.099 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.086 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.77 163.94 37.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.036 2.491 . . . . 0.0 112.283 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -64.52 -26.8 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.034 0.445 . . . . 0.0 111.353 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.51 64.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.017 0.436 . . . . 0.0 110.973 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.56 -5.34 59.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 111.076 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.55 -38.12 38.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.546 0.688 . . . . 0.0 109.326 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -70.08 -28.83 65.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.82 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 68' ' ' ILE . 6.9 tp10 -70.29 -35.91 74.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.159 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.67 -23.22 65.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.692 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 48.3 tp10 -56.76 -53.36 58.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.505 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.63 -32.56 36.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.929 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 64' ' ' GLU . 69.2 mt -59.25 -50.06 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.525 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 25.9 ptt-85 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.599 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -50.43 15.15 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.764 -176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -26.25 68.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.241 0.544 . . . . 0.0 110.628 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -76.13 -12.44 60.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.761 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 9.7 mtpm? -78.86 54.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.083 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.562 ' OE2' ' HG ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -111.63 -13.88 13.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 178.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.3 t30 74.17 -29.21 0.19 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 167.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.37 -20.3 62.86 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 122.981 0.512 . . . . 0.0 112.313 -175.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' HG ' ' OE2' ' A' ' 74' ' ' GLU . 91.3 mt -49.74 -46.31 50.32 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -73.42 -34.68 65.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -76.71 -13.89 60.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.224 -174.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -22.62 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.174 0.512 . . . . 0.0 110.458 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -74.3 -24.16 59.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.972 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 m -67.93 -28.28 67.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.805 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 66.2 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 114.89 -1.05 . . . . 0.0 113.332 173.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -101.41 153.23 37.97 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.245 172.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -69.31 174.08 9.64 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.197 1.931 . . . . 0.0 112.29 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.17 24.99 5.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.528 0.68 . . . . 0.0 110.351 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.07 -22.77 63.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.573 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 p -70.45 -26.91 63.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.183 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.2 t -72.94 -23.2 60.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.64 -40.02 78.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.462 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -70.48 -35.59 73.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.605 0.24 . . . . 0.0 111.345 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -115.15 93.7 4.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.747 0.308 . . . . 0.0 111.003 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -67.49 127.32 32.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -75.36 128.84 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.368 0.604 . . . . 0.0 111.628 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.73 100.12 6.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.89 174.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -61.33 164.17 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.318 -173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.85 171.498 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.83 -38.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.227 2.618 . . . . 0.0 112.558 -176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -92.92 118.57 31.28 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.423 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 65.0 88.51 0.1 Allowed 'General case' 0 CA--C 1.531 0.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.858 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -119.52 158.1 26.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.643 ' CE1' ' HE3' ' A' ' 11' ' ' LYS . 3.6 p90 -135.67 170.53 15.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.8 m -111.47 145.98 38.06 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.412 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.38 -29.72 70.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.296 0.57 . . . . 0.0 110.415 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.02 -32.49 70.94 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.541 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.523 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 77.5 t80 -71.91 -33.46 68.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.218 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.643 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 96.9 mttt -66.07 -41.87 90.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.459 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -70.74 -32.13 69.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.871 0.367 . . . . 0.0 110.304 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -36.58 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.25 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.64 76.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.772 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 44' ' ' ILE . 44.9 t -66.06 -43.1 92.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.154 0.502 . . . . 0.0 109.941 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.12 83.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.38 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 ' HG ' HD12 ' A' ' 29' ' ' ILE . 24.6 tp -66.12 -37.63 86.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.726 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.7 -36.03 77.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.204 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.58 -27.88 66.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.005 0.431 . . . . 0.0 110.843 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -101.4 21.53 14.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.811 -178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.9 p -66.16 -13.73 60.68 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 111.669 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -61.61 -26.26 67.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.118 0.485 . . . . 0.0 109.839 173.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.3 -20.43 17.88 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.391 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -141.06 119.92 12.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' HG12 ' A' ' 29' ' ' ILE . 19.6 m -62.02 152.17 33.2 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.627 -173.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.16 -43.88 61.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.692 -177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -61.2 -45.4 94.73 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -59.51 -38.12 80.12 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.247 0.342 . . . . 0.0 110.925 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HG ' ' A' ' 17' ' ' LEU . 39.4 mm -57.09 -54.98 23.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.386 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -33.04 71.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.149 0.5 . . . . 0.0 110.953 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -64.04 -42.52 97.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.435 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.46 -42.22 71.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.431 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' HG ' ' CZ ' ' A' ' 10' ' ' PHE . 9.4 mp -70.12 -29.29 66.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.226 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.43 31.88 8.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.422 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.89 174.58 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.584 0.231 . . . . 0.0 110.412 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -79.43 153.68 29.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.738 0.304 . . . . 0.0 110.299 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -58.93 -35.26 72.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.69 -41.2 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.8 m -57.58 -42.36 82.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.095 0.474 . . . . 0.0 110.298 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' ILE . 58.2 tp -60.5 -46.4 90.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.574 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG13 ' A' ' 45' ' ' ILE . 84.3 tttt -60.62 -42.19 96.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.659 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -56.79 -39.53 74.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.23 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -65.98 -40.7 91.46 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 110.235 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -64.32 -38.77 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.904 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 41' ' ' LYS . 81.4 mt -61.34 -47.46 93.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.953 0.406 . . . . 0.0 110.889 178.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 52' ' ' ASN . 87.9 tttt -67.62 -56.23 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.707 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -87.04 -19.65 28.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.91 -29.86 62.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.145 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 18.3 m -78.77 -59.27 2.85 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 49' ' ' SER . 59.2 t30 163.32 -69.88 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.845 0.716 . . . . 0.0 109.835 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 118.29 7.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.882 -177.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 23.2 t-20 -158.73 102.48 1.69 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 t -67.13 -68.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.779 -173.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 9.5 mt-30 -157.9 119.1 3.53 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.52 0.513 . . . . 0.0 109.841 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.29 149.24 19.72 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.146 -1.026 . . . . 0.0 112.949 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -156.1 108.01 2.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -139.01 120.97 10.18 Favored Pre-proline 0 C--N 1.303 -1.426 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.166 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.782 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . 60.7 Cg_endo -98.93 103.93 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 123.506 2.804 . . . . 0.0 112.889 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.7 m -80.8 -49.17 11.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.749 0.309 . . . . 0.0 111.277 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.79 -22.1 50.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.937 0.398 . . . . 0.0 111.535 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 58' ' ' PRO . . . -75.1 -4.66 39.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.836 -177.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.72 -51.35 32.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.129 0.49 . . . . 0.0 110.189 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 45.6 m -76.99 -31.25 56.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.458 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -68.55 -25.53 64.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.711 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -25.33 64.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.529 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' SER . 10.3 mm-40 -59.07 -53.53 57.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 122.195 0.997 . . . . 0.0 110.1 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.04 -31.22 39.52 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.052 -173.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.8 mt -63.76 -40.65 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -59.35 -43.98 92.72 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.127 176.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -48.88 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.462 -179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 tp -65.43 -39.14 91.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.039 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.16 -57.01 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -128.77 130.13 46.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.37 123.84 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.795 0.807 . . . . 0.0 112.108 -173.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -60.27 -26.64 66.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.921 -172.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.07 -26.51 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.108 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -71.27 -28.41 64.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.649 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -81.75 -24.76 35.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.708 0.289 . . . . 0.0 111.382 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -69.94 -13.17 62.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.844 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.39 -20.03 65.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 81' ' ' ARG . 59.5 mtt-85 -69.82 -15.72 63.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.199 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -55.59 -35.54 65.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.754 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 59.63 109.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.355 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -120.86 100.72 46.03 Favored Pre-proline 0 C--N 1.314 -0.966 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.517 -175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -87.82 -170.5 0.57 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.594 2.196 . . . . 0.0 111.763 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -124.6 148.05 48.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -57.69 -31.43 66.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.436 0.46 . . . . 0.0 110.965 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.6 m -61.15 -40.62 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.8 -23.98 48.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.891 -175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.38 -39.98 85.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.787 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -41.56 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.559 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -76.91 105.91 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.359 -176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -123.69 97.09 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.505 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -61.43 125.88 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.829 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -148.75 145.56 27.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.991 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -146.32 119.12 8.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.999 0.428 . . . . 0.0 110.453 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.795 178.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.72 -63.81 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 111.855 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -174.01 -177.02 1.26 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.953 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -131.24 89.44 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -95.23 152.82 18.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.731 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -133.61 103.62 5.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.771 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 m -102.9 -179.09 3.86 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -52.98 -32.98 49.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.092 0.472 . . . . 0.0 110.496 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.57 -53.61 54.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.304 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -67.58 -42.88 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 96.8 mttt -59.92 -44.55 94.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -66.25 -45.57 80.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.466 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.94 -39.05 93.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.693 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -60.21 -42.01 94.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.348 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 44' ' ' ILE . 59.1 t -66.53 -40.36 86.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.139 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -39.02 86.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 17' ' ' LEU . 1.4 tm? -64.05 -34.79 78.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.04 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -63.37 -25.69 68.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.514 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.77 -18.65 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.245 0.545 . . . . 0.0 110.259 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -96.75 20.27 11.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.0 p -63.53 -14.86 55.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.557 -176.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -54.4 -33.29 59.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.44 18.84 8.7 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.035 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.19 101.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.768 0.318 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.1 m -65.42 149.07 50.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.885 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 37' ' ' ARG . 4.0 tt -52.05 -44.44 64.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 -176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -59.25 -37.7 78.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.379 178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -75.24 -38.3 60.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.27 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 25' ' ' SER . 77.8 mt -58.55 -49.46 82.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.891 0.377 . . . . 0.0 110.192 177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.62 86.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.987 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -71.1 -35.31 71.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.046 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -71.35 -46.99 59.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.92 -30.62 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.935 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.1 52.18 3.34 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.599 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -139.03 175.65 7.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.747 0.308 . . . . 0.0 110.561 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 25.2 t30 -85.6 143.77 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.155 177.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 26' ' ' LEU . 70.3 ttt180 -58.63 -37.63 76.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.062 0.458 . . . . 0.0 110.62 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 57.3 t -70.61 -46.29 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.516 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 21.7 m -59.55 -37.39 78.3 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.427 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.3 tp -60.5 -50.56 73.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.418 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 44' ' ' ILE . 57.2 tttm -61.92 -40.58 95.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.55 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -54.55 -47.35 73.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.432 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -63.34 -40.96 98.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.472 ' HA ' HG22 ' A' ' 15' ' ' VAL . 73.4 mt -60.81 -43.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 41' ' ' LYS . 76.2 mt -63.75 -45.2 97.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.549 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -83.04 -54.91 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.799 -173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 11' ' ' LYS . 94.0 m-85 -80.35 -24.34 39.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.264 -172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.58 -24.51 76.18 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.163 172.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 50' ' ' ASN . 10.4 t -82.92 -21.8 34.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' SER . 23.5 t30 77.35 -75.98 0.05 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.969 0.793 . . . . 0.0 110.853 178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -147.23 163.18 37.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 52.73 53.75 11.66 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.905 0.859 . . . . 0.0 108.99 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG12 ' NE2' ' A' ' 54' ' ' GLN . 24.0 t -59.87 -65.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.568 -174.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' NE2' HG12 ' A' ' 53' ' ' VAL . 1.6 mp0 -109.92 56.12 0.63 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.676 174.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.29 -32.77 76.44 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.835 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.7 p 50.23 93.99 0.01 OUTLIER 'General case' 0 C--O 1.234 0.256 0 C-N-CA 124.056 0.943 . . . . 0.0 112.678 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 p -120.78 88.43 43.9 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.25 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HB2' HG23 ' A' ' 62' ' ' VAL . 4.4 Cg_exo -76.1 111.02 3.19 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.886 2.391 . . . . 0.0 112.104 -175.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.3 p -85.73 -51.48 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.968 0.413 . . . . 0.0 110.879 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.75 -30.94 16.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.612 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 58' ' ' PRO . . . -73.71 -5.37 40.2 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -170.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 58' ' ' PRO . 94.0 t -84.03 -55.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.251 0.548 . . . . 0.0 110.223 175.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 m -78.11 -37.37 46.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.84 -175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -70.41 -34.07 72.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.126 0.489 . . . . 0.0 110.937 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.56 -24.1 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.825 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -57.51 -53.69 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -80.3 -33.7 37.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.383 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.94 -45.91 95.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.324 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -63.1 -35.46 80.34 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.668 0.248 . . . . 0.0 111.668 -178.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -75.02 -35.31 61.97 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-O 121.262 0.553 . . . . 0.0 111.158 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.67 -45.52 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.679 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -87.07 -4.85 59.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.063 0.458 . . . . 0.0 110.627 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HG2' ' HG2' ' A' ' 74' ' ' GLU . 50.6 tttm 58.06 -95.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.478 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HG2' ' HG2' ' A' ' 73' ' ' LYS . 12.6 pt-20 -169.65 174.58 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.53 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -134.46 -3.14 2.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.547 172.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.04 -48.1 79.32 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.534 -1.212 . . . . 0.0 112.788 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 78' ' ' GLN . 4.2 pp -54.91 -26.01 33.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.264 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.41 ' N ' HD12 ' A' ' 77' ' ' LEU . 27.2 mm-40 -75.61 -49.86 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.055 0.455 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -74.43 -14.86 60.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.866 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.808 ' HA ' ' HD3' ' A' ' 83' ' ' ARG . . . -61.66 -24.56 66.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.097 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.679 ' HE ' ' HA ' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -85.54 -24.29 27.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -85.19 -19.53 31.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.279 0.561 . . . . 0.0 110.769 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.808 ' HD3' ' HA ' ' A' ' 80' ' ' ALA . 26.6 mtp85 -64.97 117.86 8.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 111.054 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.63 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 31.9 m80 -147.31 177.54 1.74 Allowed Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.345 -1.298 . . . . 0.0 108.356 -177.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 84' ' ' HIS . 75.4 Cg_exo -52.09 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.563 2.175 . . . . 0.0 113.122 175.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.41 176.5 5.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.646 -173.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 -26.51 44.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.936 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.2 p -56.37 -33.8 66.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.603 -173.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.42 -23.61 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 111.327 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.7 -43.95 13.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.78 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.53 -43.86 98.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.886 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -82.62 136.07 34.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.917 -171.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 74.05 7.35 4.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.692 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -81.83 62.94 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -101.57 107.7 19.05 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.698 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -93.79 126.82 39.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.359 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.338 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.932 0.396 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.99 -39.21 2.38 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.856 2.371 . . . . 0.0 111.876 177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -154.7 170.82 20.67 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.747 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -136.34 95.11 3.12 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 154.24 22.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.221 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' A' ' 10' ' ' PHE . 1.4 t80 -158.38 120.39 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 m -58.3 136.79 57.43 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.307 0.575 . . . . 0.0 112.169 -172.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 mp0 -64.05 -26.45 68.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.929 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.31 -38.97 88.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.682 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 34.7 t80 -65.26 -42.16 93.54 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' ' 8' ' ' GLU . 79.4 mttt -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.211 178.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -58.07 -47.46 83.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.77 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.545 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 30.0 t70 -65.11 -35.99 82.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.646 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.85 -36.85 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.085 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 44' ' ' ILE . 24.4 t -69.64 -33.46 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.33 0.586 . . . . 0.0 110.089 176.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.67 -29.39 63.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 13' ' ' ASP . 81.4 mt -62.77 -28.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.467 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -63.17 -31.0 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.252 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -79.75 -18.04 52.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -92.3 14.81 15.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.97 0.414 . . . . 0.0 111.234 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.9 p -69.53 -14.05 62.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.028 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.94 -30.96 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.469 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.1 29.28 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.98 -0.629 . . . . 0.0 113.003 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -157.68 128.65 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.636 -175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -62.64 159.23 16.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 26' ' ' LEU . 6.5 tt -56.77 -36.21 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' OE1' ' HD3' ' A' ' 37' ' ' ARG . 47.1 tp60 -63.25 -36.04 82.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.095 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -72.87 -38.75 66.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -56.74 -50.91 72.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 O-C-N 123.449 0.468 . . . . 0.0 110.335 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.38 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.42 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -67.8 -36.93 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.303 . . . . 0.0 111.269 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.24 -40.04 95.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.0 0.429 . . . . 0.0 110.464 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.93 -37.7 58.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.88 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 25.81 9.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.912 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -122.5 176.04 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.942 0.401 . . . . 0.0 110.734 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.526 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 40.4 t30 -80.06 144.83 32.82 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.058 175.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' HD3' ' OE1' ' A' ' 27' ' ' GLN . 14.6 ptt180 -65.91 -31.05 71.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.888 0.375 . . . . 0.0 111.168 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.526 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 58.8 t -67.36 -43.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.111 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -61.82 -37.87 86.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.483 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 54.5 tp -62.26 -45.75 91.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.291 175.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HE2' HD11 ' A' ' 45' ' ' ILE . 86.6 tttt -57.96 -43.0 86.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.129 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -52.56 -44.67 66.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.646 -178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -68.1 -42.55 80.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.736 0.303 . . . . 0.0 110.574 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 15' ' ' VAL . 80.2 mt -61.01 -37.35 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.029 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' ' 41' ' ' LYS . 84.9 mt -62.89 -54.23 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -74.95 -50.18 17.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' ASN . 75.3 m-85 -79.25 -18.01 53.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.992 0.425 . . . . 0.0 110.723 -174.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.86 29.68 9.54 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.799 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -72.66 -50.25 26.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.519 0.676 . . . . 0.0 109.736 174.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -145.59 -50.71 0.24 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.05 -0.977 . . . . 0.0 108.578 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -167.0 -26.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.758 175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' CB ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 t30 63.0 96.24 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.9 t -82.48 -40.28 16.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.836 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -84.37 96.66 9.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.778 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 -26.28 67.24 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.016 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m 73.57 110.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.418 0.687 . . . . 0.0 111.031 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 m -153.6 105.37 2.53 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.555 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.61 94.27 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.977 2.452 . . . . 0.0 111.386 178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -89.91 -51.64 5.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.045 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.17 -20.52 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.4 -5.04 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.939 -175.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.78 -45.08 57.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.74 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.4 m -74.86 -32.78 61.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.818 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' ILE . 41.9 tt0 -70.96 -30.57 66.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -27.77 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.635 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.52 -48.81 79.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.275 0.559 . . . . 0.0 110.214 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -78.61 -32.18 47.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.696 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 64' ' ' GLU . 44.2 mm -66.74 -40.36 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.816 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' HG3' ' HB2' ' A' ' 74' ' ' GLU . 33.5 ttm180 -55.62 -28.63 56.33 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.13 -51.28 68.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.631 . . . . 0.0 110.781 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.96 -34.93 29.53 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.803 -177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' A' ' 72' ' ' LYS . 14.5 tmtt? -71.23 -21.86 62.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.709 -176.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.68 91.49 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.995 0.518 . . . . 0.0 111.978 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB2' ' HG3' ' A' ' 69' ' ' ARG . 38.7 mt-10 -136.93 113.13 9.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -173.63 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.238 -174.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.93 -22.59 15.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.664 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.62 -52.71 64.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 111.173 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -81.94 -30.8 31.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -68.27 -21.39 64.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.959 0.409 . . . . 0.0 110.668 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.76 61.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.803 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -72.78 -10.46 59.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.946 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -87.2 5.08 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.172 0.511 . . . . 0.0 110.915 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -89.43 152.92 21.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.911 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -113.43 160.2 32.43 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -56.81 173.13 0.58 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.758 2.306 . . . . 0.0 113.497 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.43 24.23 7.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 7.1 pt-20 -61.32 -44.77 96.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 m -72.84 -23.59 60.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.009 0.433 . . . . 0.0 110.883 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.74 -36.17 62.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.3 pp -74.4 -20.03 60.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.997 0.427 . . . . 0.0 110.622 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.49 -30.61 69.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.784 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -83.38 79.11 9.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.237 0.541 . . . . 0.0 111.55 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -148.61 149.49 31.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.063 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 m170 65.06 -168.86 0.21 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.424 0.452 . . . . 0.0 110.923 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -124.52 142.62 51.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -94.12 132.27 38.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.043 0.449 . . . . 0.0 110.815 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.174 175.384 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.24 -10.85 16.28 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.505 2.136 . . . . 0.0 111.962 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.59 130.45 43.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -145.04 86.8 1.79 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -108.93 159.9 16.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.86 -169.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' HD1' ' HE2' ' A' ' 11' ' ' LYS . 2.8 p90 -138.81 114.8 10.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.46 175.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 24.2 p -71.09 155.91 40.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.806 0.336 . . . . 0.0 110.984 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.506 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 7.9 pt-20 -62.07 -31.57 72.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.495 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 12' ' ' ARG . 9.3 tp10 -68.01 -34.71 77.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.211 0.529 . . . . 0.0 109.65 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.64 -40.41 84.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.128 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HE2' ' HD1' ' A' ' 6' ' ' TYR . 83.8 mttt -60.81 -40.13 91.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.387 0.613 . . . . 0.0 110.0 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 9' ' ' GLU . 51.5 ttt180 -64.55 -36.8 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.512 179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.72 -33.98 71.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.409 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.11 -30.74 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.851 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 44' ' ' ILE . 62.0 t -65.12 -38.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.167 0.508 . . . . 0.0 109.668 174.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.97 70.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.394 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 14' ' ' ALA . 41.6 mt -64.19 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.425 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.88 -23.69 60.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.783 0.325 . . . . 0.0 110.581 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -66.37 -19.39 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.314 0.578 . . . . 0.0 109.941 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -108.74 24.08 13.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.219 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.704 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.9 p -65.05 -14.61 60.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.091 -176.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.77 -32.0 63.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.162 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.12 -17.46 11.58 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.643 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -145.9 109.94 4.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 117.045 0.423 . . . . 0.0 111.078 -177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.7 t -70.47 170.41 12.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.389 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.39 -51.27 68.96 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.508 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 26.6 tp60 -61.69 -33.66 74.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.313 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -66.97 -43.37 83.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.397 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.1 mm -61.24 -51.2 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.639 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.48 -32.99 73.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 16.8 t-20 -67.21 -48.26 68.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.848 -177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -70.49 -40.19 73.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.227 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.23 -14.39 59.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.479 -177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.28 47.53 43.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.047 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.12 171.22 17.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -77.1 143.85 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -67.73 -39.85 84.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.689 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.58 -42.5 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.463 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -61.95 -42.17 98.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.649 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.12 -45.51 93.16 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 121.104 0.478 . . . . 0.0 110.527 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.59 -44.67 85.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.527 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -60.21 -41.02 92.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.636 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -59.92 -41.93 92.8 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.123 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HA ' HG22 ' A' ' 15' ' ' VAL . 64.9 mt -59.79 -41.21 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.962 -177.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.0 mt -75.98 -39.22 36.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.959 0.409 . . . . 0.0 111.32 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -76.73 -52.74 9.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.265 -174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -83.18 -33.67 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.007 0.432 . . . . 0.0 110.49 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.63 62.45 3.39 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 171.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.4 m -48.26 -39.48 21.62 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.519 0.728 . . . . 0.0 112.177 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 72.34 -49.69 0.69 Allowed 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.834 0.708 . . . . 0.0 112.466 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -74.78 133.52 41.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.635 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -140.35 109.72 6.23 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.8 m -50.71 -26.82 4.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 61.49 82.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.464 0.65 . . . . 0.0 110.314 -174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.34 -109.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.501 -178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.1 p 46.74 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 123.445 0.698 . . . . 0.0 111.971 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.493 HG23 ' HB3' ' A' ' 60' ' ' ALA . 1.8 t -138.15 109.54 8.3 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 121.156 0.503 . . . . 0.0 111.162 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 57' ' ' THR . 36.6 Cg_endo -65.81 -28.89 50.9 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.807 2.338 . . . . 0.0 111.845 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 m -65.59 -37.1 85.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.947 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB3' HG23 ' A' ' 57' ' ' THR . . . -79.63 -20.19 47.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.925 0.393 . . . . 0.0 110.783 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.64 -6.3 58.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.9 t -77.77 -33.64 19.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.642 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 m -67.39 -30.7 70.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.508 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' O ' HG13 ' A' ' 68' ' ' ILE . 5.3 tp10 -72.56 -18.44 61.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.894 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.35 67.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.674 -176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' ' OE1' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -62.64 -40.62 97.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 66' ' ' GLU . 2.2 mp0 -76.38 -42.38 44.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.84 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 64' ' ' GLU . 73.4 mt -55.89 -46.3 80.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.474 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -65.19 -28.12 69.17 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.376 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.52 -51.01 39.67 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.452 0.644 . . . . 0.0 110.437 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.27 -35.71 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.424 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -81.52 -30.58 33.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -174.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 102.32 9.66 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 66.37 114.0 0.03 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 124.259 0.974 . . . . 0.0 110.744 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.75 176.52 8.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.222 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.31 -27.26 63.94 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.89 -26.46 58.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 111.503 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -79.83 -50.74 10.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.693 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 79' ' ' ARG . 10.3 tpt85 -82.16 -14.07 56.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.58 -172.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.4 -18.68 18.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.452 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.01 -26.18 24.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -176.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.7 m -76.77 -34.72 58.01 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -123.63 -171.25 2.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.091 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -144.9 109.42 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.912 0.387 . . . . 0.0 110.944 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.64 176.28 9.7 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.449 2.099 . . . . 0.0 112.212 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 89' ' ' CYS . . . -139.43 35.14 2.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.464 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.1 pt-20 -52.9 -47.67 67.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.294 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.1 m -80.78 -25.58 37.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.487 . . . . 0.0 110.829 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.528 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 37.4 t -71.93 -34.18 68.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -70.16 -30.32 67.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.052 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.56 -43.49 15.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.591 0.234 . . . . 0.0 111.169 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 67.92 -174.43 0.19 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -166.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 2.5 t-160 -104.45 -23.42 13.17 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.043 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 50.8 m-70 72.61 139.71 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.388 176.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -152.62 145.85 24.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.394 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -149.87 162.66 39.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 110.472 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 167.698 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.678 0.275 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.83 164.23 6.11 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -132.93 150.87 52.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.125 0.488 . . . . 0.0 110.189 175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.5 102.41 0.26 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.874 -173.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.71 154.91 49.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.96 0.41 . . . . 0.0 110.916 -177.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' HB3' ' HE3' ' A' ' 11' ' ' LYS . 42.9 m-85 -138.99 107.6 5.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.759 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 p -78.86 162.34 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.77 -38.76 87.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -39.86 76.23 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -61.71 -45.2 94.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.187 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 47' ' ' TYR . 83.4 mttt -76.14 -40.46 52.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.084 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -58.12 -43.8 87.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.05 -41.07 99.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.58 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.4 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ILE . 50.1 t -68.9 -40.83 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.899 0.381 . . . . 0.0 110.464 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.38 77.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.773 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HG ' HD12 ' A' ' 29' ' ' ILE . 19.4 tp -69.6 -31.95 70.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.951 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -66.26 -28.84 69.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.6 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.64 -19.89 65.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.276 0.56 . . . . 0.0 110.328 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -110.41 31.13 6.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.831 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 8.2 p -61.81 -13.88 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -175.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -57.76 -30.77 65.88 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.26 -13.24 49.44 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.437 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -159.18 112.67 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.426 -177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 49.3 m -63.65 165.62 7.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.075 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -49.99 -49.52 50.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.091 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 24.5 tp60 -64.8 -33.56 76.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.743 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -67.25 -37.8 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.162 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD12 ' HG ' ' A' ' 17' ' ' LEU . 37.8 mm -60.19 -54.59 32.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.753 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 40' ' ' LEU . . . -62.04 -29.83 70.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.95 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 6.5 t-20 -67.07 -46.63 73.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.333 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -69.44 -39.95 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.757 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.72 -17.49 62.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.753 178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.93 41.87 54.04 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.277 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 pt -135.12 160.09 40.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 0.0 110.79 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -61.6 144.87 53.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.96 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -57.75 -38.34 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.102 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.14 -42.49 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.408 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.7 m -63.95 -43.47 95.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 30' ' ' ALA . 56.3 tp -58.25 -49.41 77.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.642 177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 45' ' ' ILE . 83.0 tttt -60.25 -41.77 93.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.801 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -54.63 -36.52 64.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.55 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m0 -76.01 -43.99 41.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 0.0 110.171 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 ' HA ' HG22 ' A' ' 15' ' ' VAL . 70.7 mt -59.35 -43.48 90.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.007 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 41' ' ' LYS . 85.3 mt -61.23 -51.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -67.58 -53.86 24.73 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -175.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 11' ' ' LYS . 71.6 m-85 -77.83 -28.97 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -172.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.47 -40.54 68.03 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.368 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 m -87.7 -24.08 23.97 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 122.614 -0.344 . . . . 0.0 111.397 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 68.49 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.62 0.768 . . . . 0.0 110.183 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -143.53 3.71 1.32 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.552 0.691 . . . . 0.0 109.278 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -90.72 74.07 6.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.988 -172.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.92 -52.29 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.53 171.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.44 23.11 6.4 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.53 88.19 1.13 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.517 -176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -144.02 104.22 4.11 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.504 0.669 . . . . 0.0 109.259 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.6 p -75.38 156.26 85.47 Favored Pre-proline 0 C--N 1.304 -1.382 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.639 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 8.0 1.16 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.103 2.535 . . . . 0.0 113.129 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 m -66.78 -20.83 66.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.16 0.505 . . . . 0.0 110.454 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.16 -19.41 51.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.63 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.55 45.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.917 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.88 -39.72 85.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.372 0.606 . . . . 0.0 110.389 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -69.2 -28.99 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.262 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -36.09 68.51 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.281 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.69 77.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.53 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.83 -48.43 81.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -79.25 -34.73 42.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.612 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 71.4 mt -65.69 -39.98 86.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -53.99 -39.73 66.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.151 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.09 -49.2 15.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.247 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 tt -48.95 -48.61 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.31 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -81.4 3.63 23.77 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -175.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -119.33 -28.12 5.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.035 0.445 . . . . 0.0 110.926 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -74.79 155.83 37.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.179 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 9.6 p30 -135.21 164.48 27.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.634 -177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.34 -26.67 63.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.306 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 95.7 mt -63.08 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.446 -176.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -81.12 -29.29 34.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.013 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 79' ' ' ARG . 23.4 mmt180 -74.06 -13.63 60.87 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -20.26 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.699 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -85.84 -25.09 26.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.812 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.5 m -72.27 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.215 0.531 . . . . 0.0 110.558 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.546 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 1.3 mmp_? -102.46 114.0 27.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -117.93 93.82 45.03 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.323 -172.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -92.31 -172.12 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.928 2.419 . . . . 0.0 112.151 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 89' ' ' CYS . . . -111.58 127.8 55.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.964 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.84 -59.2 4.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.71 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 t -75.76 -23.51 55.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.721 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 97.5 m -65.5 -23.26 66.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 176.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 64.3 tp -65.3 -36.82 85.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.583 173.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 92' ' ' HIS . 13.9 mt-10 -81.32 -53.53 6.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.708 0.766 . . . . 0.0 109.818 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 91' ' ' GLU . 37.4 m-70 -100.85 68.22 1.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.186 -174.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.34 120.36 12.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -74.84 157.18 35.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.541 -169.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -116.01 123.77 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -106.5 116.75 32.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.6 t60 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.489 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.92 -23.86 40.47 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.386 2.057 . . . . 0.0 111.473 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -104.19 113.21 26.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.703 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -132.65 85.5 2.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.89 155.99 26.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.621 -173.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.03 166.37 20.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.739 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.5 m -118.92 141.51 48.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.929 0.395 . . . . 0.0 110.981 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -34.85 78.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.18 176.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.22 -33.09 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.634 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.68 -42.64 91.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.944 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HE3' ' CD1' ' A' ' 43' ' ' TRP . 44.7 mtpt -69.66 -31.0 68.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.132 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -67.39 -40.01 85.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.359 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.83 -36.39 84.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.381 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.35 -35.06 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.981 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 47' ' ' TYR . 60.1 t -69.3 -40.6 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.483 177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.95 85.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.223 0.535 . . . . 0.0 110.305 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' A' ' 29' ' ' ILE . 82.9 mt -63.09 -35.42 80.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.521 173.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.401 ' CG ' HD13 ' A' ' 44' ' ' ILE . 71.2 t80 -72.66 -27.27 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.016 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.71 -37.05 82.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -101.14 24.95 8.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.508 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 26.5 p -65.91 -19.67 65.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.153 -175.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.03 -23.03 67.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.165 0.507 . . . . 0.0 110.327 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.94 -3.64 26.42 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.685 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 29' ' ' ILE . . . -143.53 98.09 3.19 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 120.804 0.335 . . . . 0.0 110.412 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -63.4 153.85 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.954 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.4 mt -55.94 -37.17 68.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.688 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 56.8 tp60 -64.79 -39.99 94.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.06 -42.62 84.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.949 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 17' ' ' LEU . 50.0 mm -63.34 -53.46 45.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.05 83.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 8.9 t-20 -66.93 -42.17 85.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.526 -178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.84 -43.49 71.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 29' ' ' ILE . 11.1 mp -75.29 -21.28 58.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.11 40.68 15.75 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.965 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD13 ' A' ' 40' ' ' LEU . 27.3 pt -133.06 175.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 -177.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 38' ' ' VAL . 33.7 t30 -83.28 143.68 30.23 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -67.21 -33.31 75.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.332 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' ND2' ' A' ' 36' ' ' ASN . 43.3 t -67.89 -46.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.844 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -41.18 97.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.05 0.453 . . . . 0.0 110.129 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 HD13 HD11 ' A' ' 35' ' ' ILE . 43.8 tp -57.39 -51.86 67.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.886 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HA ' HD12 ' A' ' 44' ' ' ILE . 69.9 tttt -62.47 -38.82 91.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.82 -177.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.0 m-20 -64.6 -34.25 77.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 45.3 m0 -61.92 -44.88 95.87 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.392 0.615 . . . . 0.0 109.988 174.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 41' ' ' LYS . 52.3 mt -61.26 -32.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.005 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 41' ' ' LYS . 67.5 mt -60.46 -37.87 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.796 0.332 . . . . 0.0 111.639 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -85.84 -40.99 15.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.702 -174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' HB2' HG21 ' A' ' 15' ' ' VAL . 96.7 m-85 -88.56 -30.66 19.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.311 . . . . 0.0 111.669 -174.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.41 82.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.832 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.3 m -77.42 -24.1 50.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.03 114.91 14.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.349 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 59.44 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.58 -1.191 . . . . 0.0 111.562 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -75.03 78.83 2.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.161 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' HB ' ' OE1' ' A' ' 54' ' ' GLN . 25.2 t -58.98 -40.44 80.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' HE2' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -76.64 82.5 3.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.335 174.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -122.35 -89.03 0.95 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.592 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.571 ' O ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 p 49.02 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.845 0.858 . . . . 0.0 111.801 -176.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.7 m -84.32 111.49 34.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.981 -174.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 89.7 Cg_endo -96.9 -172.57 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.327 2.685 . . . . 0.0 111.524 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -67.09 -25.7 66.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.221 0.534 . . . . 0.0 110.74 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.81 62.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.632 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 58' ' ' PRO . . . -77.73 -5.09 49.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.703 -175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.34 -39.89 77.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.359 0.6 . . . . 0.0 110.257 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.1 m -78.35 -34.17 48.57 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.57 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 4.7 tp10 -70.43 -24.89 62.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.814 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.41 -23.48 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.711 -176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.23 -47.17 84.35 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 111.34 -176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 8.2 pt20 -78.96 -31.36 45.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.095 0.474 . . . . 0.0 110.135 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.7 mm -60.77 -43.56 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.501 0.667 . . . . 0.0 109.663 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -54.66 -33.8 61.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.046 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -79.24 -45.36 19.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.083 0.468 . . . . 0.0 111.096 -177.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 36.0 tp -81.54 -32.53 32.23 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -173.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -80.52 4.32 18.75 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.4 pttp -89.96 -177.08 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.749 0.309 . . . . 0.0 110.97 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.99 -172.45 0.17 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.947 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -123.91 130.09 52.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 122.051 0.929 . . . . 0.0 112.407 -176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.41 -13.81 51.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.55 -1.204 . . . . 0.0 111.424 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.4 mt -51.69 -42.22 62.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.494 -174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.74 -36.6 76.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.061 0.458 . . . . 0.0 111.094 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -88.95 -24.7 22.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.366 0.603 . . . . 0.0 110.705 -176.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.22 65.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.049 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -65.13 -18.64 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.816 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.5 m -70.78 -16.23 62.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.699 0.761 . . . . 0.0 110.38 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -112.91 -170.83 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 4.5 p-80 -149.84 138.04 12.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.379 173.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 84' ' ' HIS . 2.9 Cg_endo -86.02 -156.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 123.213 2.609 . . . . 0.0 111.681 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 63.03 94.75 0.05 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.731 0.644 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 10.7 pt-20 -57.0 -22.72 40.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.536 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -51.65 -24.2 5.31 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.215 0.606 . . . . 0.0 112.08 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.1 p -63.69 -23.43 67.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.5 pp -63.43 -19.04 64.36 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.74 0.305 . . . . 0.0 111.159 -177.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.09 -39.8 83.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.438 0.637 . . . . 0.0 109.4 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -109.4 61.44 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.0 176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 94' ' ' HIS . 5.7 p-80 -59.37 154.95 15.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.601 ' HB2' ' O ' ' A' ' 93' ' ' HIS . 19.0 m-70 79.24 -178.43 0.09 Allowed 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.227 0.955 . . . . 0.0 109.236 -166.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -148.02 160.04 43.27 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.657 -176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -56.33 136.0 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.753 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--O 1.248 1.02 0 O-C-N 123.906 0.754 . . . . 0.0 110.803 -177.598 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 ttm . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.97 -29.88 57.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.786 2.324 . . . . 0.0 113.106 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.6 t -104.21 172.47 6.78 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 4' ' ' LYS . 14.5 tmtt? 56.75 77.89 0.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.016 0.912 . . . . 0.0 109.515 -173.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -87.33 174.79 8.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.788 -175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -136.21 178.92 6.68 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.201 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.0 m -146.99 152.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.113 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.77 -33.97 75.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 110.941 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -63.69 -31.21 72.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.077 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.95 -41.26 95.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.536 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 47' ' ' TYR . 87.1 mttt -66.19 -42.96 88.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.963 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -61.04 -42.02 97.67 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.91 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.06 -34.1 66.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.73 -45.3 92.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.381 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 44' ' ' ILE . 43.6 t -64.55 -41.04 91.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.411 . . . . 0.0 110.646 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.056 0.455 . . . . 0.0 110.645 179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.716 HD23 HG23 ' A' ' 29' ' ' ILE . 24.5 tp -65.15 -34.59 78.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.471 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -65.82 -26.04 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -69.07 -16.56 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -100.45 29.73 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.184 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 5.2 p -71.5 -24.68 62.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -173.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.2 -14.75 57.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.937 0.399 . . . . 0.0 110.643 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -115.4 3.48 21.92 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.208 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -160.56 118.36 2.5 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.861 0.33 . . . . 0.0 110.481 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -62.16 153.78 29.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.316 -175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.48 -45.2 69.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -43.96 85.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.585 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -63.76 -34.2 77.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.873 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.716 HG23 HD23 ' A' ' 17' ' ' LEU . 48.2 mm -59.2 -54.25 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.496 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.03 67.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.152 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -67.69 -42.02 82.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 -177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.23 -45.87 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.966 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.39 -39.13 74.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.11 37.29 3.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.961 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.6 pt -124.52 157.47 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.512 0.196 . . . . 0.0 110.643 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.522 ' HB3' ' OG1' ' A' ' 39' ' ' THR . 20.0 t-20 -62.73 144.79 56.04 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.176 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 37' ' ' ARG . 11.6 mmt180 -62.67 -34.65 77.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.209 0.528 . . . . 0.0 110.354 -175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.41 -37.69 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.268 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 36' ' ' ASN . 22.3 m -60.72 -38.22 84.34 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.538 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 44' ' ' ILE . 57.7 tp -59.77 -55.46 33.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.268 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -54.3 -42.8 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -54.03 -56.03 21.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.676 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -59.12 -40.44 85.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.286 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 40' ' ' LEU . 89.9 mt -59.01 -46.41 91.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 111.205 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.15 -46.41 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.63 -53.23 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.739 -176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' HA ' HD22 ' A' ' 50' ' ' ASN . 86.6 m-85 -80.44 -25.86 38.72 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.539 -173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.82 -11.01 68.83 Favored Glycine 0 C--N 1.33 0.199 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.836 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -78.54 -24.15 45.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.705 0.288 . . . . 0.0 110.526 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.503 HD22 ' HA ' ' A' ' 47' ' ' TYR . 54.0 m-80 -62.79 123.89 19.61 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.564 0.697 . . . . 0.0 110.704 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -69.64 -37.2 76.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.776 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -172.25 122.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.0 m -53.59 -41.16 45.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.992 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 53.11 94.48 0.02 OUTLIER 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.78 -135.63 4.56 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.79 176.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -146.97 101.58 3.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.395 0.617 . . . . 0.0 110.219 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 24.5 p -68.81 144.64 96.15 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.077 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 27.3 Cg_exo -62.45 110.92 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.108 2.539 . . . . 0.0 113.207 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 p -75.13 -19.42 59.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.737 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -20.1 58.57 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.121 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.21 -5.76 43.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 111.672 -176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.2 t -80.19 -31.08 13.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.168 0.508 . . . . 0.0 110.053 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -73.04 -43.42 62.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.392 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.46 -20.8 62.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.395 -173.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.52 -27.12 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.495 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.85 -46.34 90.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.281 0.562 . . . . 0.0 110.294 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -76.96 -35.68 57.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.302 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.1 mt -59.62 -45.45 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.181 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -65.22 -36.97 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -37.78 74.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.147 178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.58 -45.97 73.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.416 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' A' ' 72' ' ' LYS . 20.1 ptmt -77.45 -19.56 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.919 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 61.27 87.76 0.09 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.495 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.37 113.8 6.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.54 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -113.37 158.54 20.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.959 -175.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.58 -22.74 59.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.727 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 84.7 mt -62.36 -50.42 71.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.7 -27.79 69.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.663 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 79' ' ' ARG . 6.3 tpp180 -81.67 -27.91 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 110.632 -177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.86 -20.17 42.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.53 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 77' ' ' LEU . 29.7 mtp180 -68.09 -12.02 60.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -176.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.1 m -56.6 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 O-C-N 123.57 0.544 . . . . 0.0 111.65 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -124.26 150.17 45.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.892 0.377 . . . . 0.0 110.128 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -127.25 153.43 76.94 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.839 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.49 174.7 6.96 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 121.98 1.787 . . . . 0.0 111.435 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.95 114.72 29.07 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.73 0.3 . . . . 0.0 110.964 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 2.0 mp0 -70.82 -22.85 62.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.427 0.632 . . . . 0.0 109.725 174.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -53.84 -23.56 12.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.556 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.3 p -60.36 -23.9 64.65 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' GLU . 4.7 pp -72.06 -17.03 62.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -175.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -52.92 62.48 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 174.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 46.6 t60 69.51 129.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 O-C-N 124.162 0.914 . . . . 0.0 111.572 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.68 131.22 46.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.222 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.1 153.19 40.27 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -114.23 138.49 50.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 5.3 t-80 -112.33 138.59 48.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 40.4 m-70 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.284 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.6 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.582 0.23 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -85.09 -10.37 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.736 2.291 . . . . 0.0 112.126 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 133.55 42.5 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.101 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -135.93 119.66 17.22 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.059 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -114.65 154.17 28.88 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.15 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.8 120.32 40.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -62.96 157.22 22.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.165 -173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.28 -37.59 64.92 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.823 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -52.77 -54.01 39.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.622 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -65.38 -43.97 89.01 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.002 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.569 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 51.3 mtmt -59.38 -37.21 77.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.127 0.489 . . . . 0.0 110.648 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -75.57 -38.13 59.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.045 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.41 -36.29 83.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.3 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.74 -37.69 87.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.786 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 11' ' ' LYS . 59.9 t -67.7 -34.59 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.6 85.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.421 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' ALA . 75.5 mt -57.37 -36.29 71.05 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 174.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.92 -41.77 97.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.068 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -73.03 -21.81 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 0.0 110.617 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -99.57 25.95 6.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.537 178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -63.57 -13.55 42.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.663 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -54.16 -30.48 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.572 173.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.3 -31.87 15.46 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.641 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.62 130.0 10.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 160.38 14.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.507 -177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 tt -54.6 -50.33 68.3 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.949 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -61.53 -36.04 79.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.777 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -66.9 -37.12 83.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.236 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.45 -47.64 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.885 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.42 -40.01 92.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.745 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.87 -41.96 99.59 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.382 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.97 -43.58 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.8 mp -71.26 -31.96 68.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.51 32.47 8.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.159 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.03 173.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.745 0.307 . . . . 0.0 110.51 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -82.41 147.04 28.99 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.02 -30.03 70.97 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.933 0.397 . . . . 0.0 111.146 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.8 t -74.39 -35.09 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.9 m -63.11 -40.86 98.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 0.0 110.031 175.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 44' ' ' ILE . 60.0 tp -63.35 -43.81 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.86 174.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -55.09 -43.64 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.459 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.93 -50.05 69.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.61 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 11' ' ' LYS . 16.0 m0 -61.92 -41.26 97.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 40' ' ' LEU . 81.9 mt -60.6 -50.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.311 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.63 -38.29 72.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.149 0.5 . . . . 0.0 111.426 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.747 -173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.01 -22.45 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.663 0.268 . . . . 0.0 111.263 -175.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.23 59.07 4.35 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.173 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -67.28 -23.61 65.69 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.763 0.425 . . . . 0.0 111.287 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -66.91 121.79 16.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.211 0.529 . . . . 0.0 110.119 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -77.54 -32.74 54.11 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.036 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.09 86.18 2.27 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.467 173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 56' ' ' THR . 62.1 t -63.66 -53.46 44.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.271 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 60.8 -142.75 0.51 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.122 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.2 -35.55 56.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.318 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER 44.99 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -176.269 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 13.5 p -89.98 111.02 44.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.115 0.484 . . . . 0.0 110.976 177.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 2.5 Cg_endo -82.45 125.88 4.59 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.071 2.514 . . . . 0.0 111.828 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -60.13 -23.23 63.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.051 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.98 -19.72 29.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.922 0.392 . . . . 0.0 111.219 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.49 11.21 17.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.19 -48.6 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.32 0.581 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.3 m -84.33 -28.84 26.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.055 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -70.22 -22.67 62.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 0.0 110.64 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.82 -23.13 51.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.441 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.12 -50.64 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.279 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.54 -24.75 62.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.4 mm -66.23 -40.19 86.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.848 174.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.92 -40.68 81.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.518 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -41.61 69.39 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.025 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.2 -46.46 90.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.917 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 39.2 tttm -67.11 -33.28 75.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.304 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' LYS . 75.2 mmtt 74.56 125.85 0.04 OUTLIER 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.073 0.858 . . . . 0.0 110.681 -174.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.78 -14.46 20.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.642 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.603 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.1 t-20 -88.61 172.01 9.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.835 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.42 -13.12 61.38 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 75' ' ' ASN . 2.6 pt? -57.51 -26.04 60.72 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -57.18 -27.96 62.39 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.141 0.496 . . . . 0.0 111.53 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -72.05 -14.6 61.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.187 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.39 -20.34 65.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -73.08 -25.33 60.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.188 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -58.81 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.388 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.01 127.31 18.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.969 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -117.53 158.86 44.07 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.816 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -75.25 -161.05 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.908 2.405 . . . . 0.0 112.12 175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.16 172.66 7.68 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.155 0.502 . . . . 0.0 111.482 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -71.87 -24.22 61.64 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.297 -174.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -64.87 -26.58 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.839 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.0 -33.98 76.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.137 0.494 . . . . 0.0 110.429 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -78.01 -22.27 49.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.496 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.36 -33.65 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.546 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -65.11 107.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 111.612 -172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -117.41 133.91 55.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.756 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -66.47 133.18 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.216 0.532 . . . . 0.0 111.842 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -91.33 -2.69 57.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.256 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' HIS . 17.5 t-80 59.21 71.9 0.56 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 96' ' ' HIS . 82.6 t60 . . . . . 0 C--O 1.244 0.811 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.022 -164.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.5 -54.97 0.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.381 2.054 . . . . 0.0 111.043 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -142.02 151.93 42.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.354 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -80.32 103.62 10.31 Favored 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 151.68 19.2 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.871 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.608 ' HE1' ' HE3' ' A' ' 11' ' ' LYS . 39.1 p90 -154.94 163.41 40.35 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.141 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -116.46 163.02 16.68 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 11' ' ' LYS . 40.1 mt-10 -64.21 -26.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 172.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.25 -45.72 92.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.794 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -63.88 -36.32 83.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.118 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HE3' ' HE1' ' A' ' 6' ' ' TYR . 94.6 mttt -61.2 -47.26 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 174.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -62.69 -40.49 97.29 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.914 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.62 -41.09 96.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.495 . . . . 0.0 110.124 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.79 -36.07 80.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.477 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 44' ' ' ILE . 45.0 t -64.49 -42.73 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -28.64 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.82 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 14' ' ' ALA . 73.3 mt -64.96 -34.15 77.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.779 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -73.03 -28.62 62.45 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.554 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -69.99 -20.95 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.359 0.599 . . . . 0.0 109.79 174.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -112.63 35.56 3.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.095 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 p -80.19 -10.81 59.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.525 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -47.66 -38.68 15.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.502 -176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.83 1.55 33.89 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.867 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -142.57 114.11 7.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.746 0.308 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m -63.92 158.94 20.92 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.496 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.655 HD23 ' HE ' ' A' ' 37' ' ' ARG . 36.5 tp -59.34 -40.66 87.09 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 55.1 tp60 -62.93 -32.61 73.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.341 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -70.51 -41.94 71.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.18 -49.97 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.222 0.534 . . . . 0.0 110.345 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.57 -32.46 73.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.339 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 27' ' ' GLN . 4.1 t-20 -70.57 -47.74 58.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -66.72 -41.68 87.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.8 -35.71 64.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.687 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.26 39.95 5.57 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.115 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.452 HD11 HD13 ' A' ' 40' ' ' LEU . 26.6 pt -128.52 170.88 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.609 0.242 . . . . 0.0 110.461 -178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.16 144.26 38.51 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.763 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.655 ' HE ' HD23 ' A' ' 26' ' ' LEU . 51.9 ttt180 -62.53 -37.73 87.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.7 t -74.37 -41.02 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.219 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 m -60.04 -42.75 95.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.082 0.468 . . . . 0.0 110.394 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD13 HD11 ' A' ' 35' ' ' ILE . 62.3 tp -59.39 -48.02 83.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.566 175.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.4 -44.28 88.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.934 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -57.85 -37.01 73.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.668 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -70.77 -44.47 66.63 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.591 ' HA ' HG22 ' A' ' 15' ' ' VAL . 75.9 mt -59.79 -45.69 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.84 -42.28 82.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.276 -178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -72.95 -53.16 11.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.512 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 90.0 m-85 -83.84 -26.89 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.386 -173.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.58 -11.72 69.05 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.325 178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.5 t -79.8 -25.17 40.99 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.4 t30 64.12 -86.42 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.636 0.585 . . . . 0.0 111.152 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -151.28 89.63 1.52 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.126 0.489 . . . . 0.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.26 35.75 3.31 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.865 0.841 . . . . 0.0 109.062 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.84 -29.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.144 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -119.58 145.82 46.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.424 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.64 83.23 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.226 173.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m 44.52 96.63 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.339 1.056 . . . . 0.0 113.647 171.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 58.0 m -106.87 110.56 63.7 Favored Pre-proline 0 C--N 1.309 -1.161 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.262 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 57' ' ' THR . 16.9 Cg_exo -67.26 -21.12 48.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.067 2.511 . . . . 0.0 112.495 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -64.39 -25.22 67.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.51 -21.07 45.75 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.103 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.53 -5.2 44.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.32 -43.6 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.112 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.2 m -78.29 -39.12 40.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.779 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.513 ' HG3' HD13 ' A' ' 68' ' ' ILE . 8.2 tp10 -60.07 -25.98 65.81 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.03 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.87 -24.28 65.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.684 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -70.43 -46.38 64.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.024 0.44 . . . . 0.0 110.416 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -68.77 -37.23 79.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.116 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.513 HD13 ' HG3' ' A' ' 64' ' ' GLU . 1.6 mp -65.03 -35.82 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.37 176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -58.43 -44.39 89.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.738 176.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.68 -40.76 95.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.84 -40.75 96.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.231 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 68' ' ' ILE . 35.6 mmtp -71.64 -50.52 29.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.971 178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -84.96 89.78 7.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.227 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.54 -72.9 0.53 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.303 0.573 . . . . 0.0 110.487 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' HB2' ' A' ' 77' ' ' LEU . 5.4 p30 -136.3 167.26 21.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.83 -173.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.78 -24.22 63.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.51 -178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HB2' ' OD1' ' A' ' 75' ' ' ASN . 89.9 mt -61.6 -32.63 72.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 111.071 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -62.52 -36.4 82.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.282 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . 4.8 mmm180 -86.2 -14.6 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.906 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.99 -20.87 60.94 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.101 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -74.96 -25.14 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.374 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 m -69.91 -23.81 63.29 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.043 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -86.1 146.72 26.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.804 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.07 81.41 28.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -93.21 -174.79 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 123.14 2.56 . . . . 0.0 111.872 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 89' ' ' CYS . . . -143.44 141.19 30.74 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.395 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.06 -22.93 55.12 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -60.07 -26.62 66.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.809 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 86' ' ' ALA . 68.3 m -70.77 -24.2 62.55 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.62 -42.94 77.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.078 0.466 . . . . 0.0 109.905 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 93' ' ' HIS . 41.0 tt0 -80.12 -47.1 15.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.166 177.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 61.75 31.42 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.153 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 4.7 m80 -120.62 -169.51 1.83 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -129.92 48.14 2.42 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -58.02 -77.55 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.095 -176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 60.38 175.77 0.09 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.467 0.479 . . . . 0.0 110.862 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.273 -0.87 . . . . 0.0 109.378 174.074 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.706 0.288 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.48 18.19 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.762 2.974 . . . . 0.0 113.597 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p 54.19 103.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.375 1.07 . . . . 0.0 112.337 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -100.51 -3.04 31.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.252 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p -60.5 124.65 21.0 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.166 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CE1' ' HD3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -101.68 139.39 37.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.312 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -69.13 156.07 39.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.11 -36.18 78.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.58 -30.69 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.554 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -65.49 -47.61 75.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.638 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 43' ' ' TRP . 45.6 mtmt -67.38 -31.81 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.256 0.551 . . . . 0.0 110.16 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.45 87.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.512 174.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 59' ' ' SER . 1.4 t70 -70.3 -35.23 73.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.151 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.89 89.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.057 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.06 -39.25 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.51 78.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.871 176.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -68.47 -21.36 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.89 -18.96 64.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.214 0.531 . . . . 0.0 110.303 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -102.99 31.32 4.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.733 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 64.2 p -60.39 -26.62 66.79 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -169.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -61.43 -29.55 70.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 110.278 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.41 -0.81 35.13 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.192 176.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' SER . . . -150.34 103.79 3.18 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.069 0.461 . . . . 0.0 110.956 -177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.458 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.7 t -68.45 155.47 39.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.776 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.21 -39.68 75.93 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.201 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -58.68 -44.85 90.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.181 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.55 -42.03 92.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.862 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 40' ' ' LEU . 37.5 mm -58.07 -48.76 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.631 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.91 69.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.786 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.04 -43.76 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.24 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -62.8 -45.52 92.25 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 110.73 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.34 -23.17 50.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.399 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.78 31.94 38.49 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.959 -0.639 . . . . 0.0 111.814 -178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 pt -113.29 169.86 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.315 . . . . 0.0 110.695 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -67.48 144.1 55.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.26 0.552 . . . . 0.0 110.977 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -67.96 -37.29 81.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.872 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.67 -46.0 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.789 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.9 m -61.55 -37.8 85.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.692 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 29' ' ' ILE . 54.2 tp -62.89 -47.61 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.683 ' HE2' HD11 ' A' ' 45' ' ' ILE . 83.6 tttt -59.03 -41.83 88.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.418 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.56 -38.76 75.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.713 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 11' ' ' LYS . 45.9 m0 -63.0 -45.98 89.86 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.081 0.467 . . . . 0.0 110.532 177.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.8 mt -60.72 -46.34 96.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.873 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.732 ' HA ' ' HB3' ' A' ' 49' ' ' SER . 67.6 mt -70.48 -32.2 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.156 -176.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -80.08 -41.91 24.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.747 0.308 . . . . 0.0 111.57 -176.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -99.14 -37.74 9.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.745 1.016 . . . . 0.0 113.745 -171.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.18 48.06 0.85 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 119.108 -1.52 . . . . 0.0 113.915 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.732 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 30.8 p -89.78 -57.74 2.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.114 0.483 . . . . 0.0 111.92 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.39 -22.83 17.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -170.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -131.99 115.06 15.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.54 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -83.36 72.75 10.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -80.68 -27.59 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.469 177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -75.68 119.52 19.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.721 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.61 -136.96 1.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.799 177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.8 p -142.1 93.38 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.752 0.787 . . . . 0.0 111.741 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.8 p -140.44 82.84 15.8 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.332 169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -69.81 113.84 3.51 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.741 2.294 . . . . 0.0 113.318 -172.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.429 ' H ' ' CG ' ' A' ' 13' ' ' ASP . 2.9 m -77.04 -33.1 57.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.686 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.81 -20.32 61.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.459 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.02 -2.3 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.361 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.56 -29.01 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.135 0.493 . . . . 0.0 110.046 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.1 m -59.95 -35.62 75.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.931 178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.493 ' O ' HG12 ' A' ' 68' ' ' ILE . 36.3 tt0 -77.39 -27.85 52.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.753 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -24.01 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.021 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 30.9 tt0 -57.22 -51.29 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.012 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -79.61 -34.07 41.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 64' ' ' GLU . 35.6 mm -61.93 -38.71 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.587 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.648 ' HA ' HD22 ' A' ' 75' ' ' ASN . 6.0 ppt_? -60.45 -31.43 70.42 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.073 -177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -80.22 -51.43 8.95 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.073 0.463 . . . . 0.0 110.364 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -65.25 -35.62 81.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.454 -173.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.23 -18.51 60.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.346 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 71.88 129.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.634 0.584 . . . . 0.0 111.407 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 65.13 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.988 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.648 HD22 ' HA ' ' A' ' 69' ' ' ARG . 7.6 t-20 59.14 -157.8 0.32 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.521 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.3 -16.54 62.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD11 ' HD3' ' A' ' 69' ' ' ARG . 89.1 mt -57.36 -39.14 75.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.023 0.44 . . . . 0.0 111.12 -178.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -65.06 -34.53 78.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.732 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -88.46 -25.97 22.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.115 0.483 . . . . 0.0 111.0 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.25 -25.87 58.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -68.46 -24.6 64.73 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.409 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 m -83.48 -17.41 42.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.129 -172.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -121.83 165.22 16.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.17 0.509 . . . . 0.0 111.682 -178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -114.9 121.38 35.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.378 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.3 174.08 12.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.68 108.25 14.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.838 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.99 -25.45 63.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.752 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 p -64.21 -35.85 82.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.3 t -86.99 -24.6 24.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.29 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.7 tp -69.73 -43.9 71.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.624 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 92' ' ' HIS . 49.6 tt0 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.806 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 91' ' ' GLU . 25.0 t-80 71.71 97.07 0.07 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.485 0.659 . . . . 0.0 111.184 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -104.52 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.219 177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -81.36 90.66 6.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.478 . . . . 0.0 111.597 -177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.01 151.96 9.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.294 -0.867 . . . . 0.0 108.874 173.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.39 136.66 47.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.918 0.389 . . . . 0.0 110.006 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.6 t60 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.045 179.654 . . . . . . . . 0 0 . 1 stop_ save_